Benzoic acid, 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluoro-, hydrochl...
C15H17FN2O3.ClH
2242751-53-5 Copyright (C) 2025 ACS
 22 22  0  0  0  0  0  0  0  0999 V2000
    6.9898    4.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6798    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9098    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5298    1.5400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6098    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8398    8.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1498    6.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406    9.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406    4.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5298    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2998    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2998    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8398    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8398    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6098    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    8.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    5.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5749    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 17  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <cas.rn>
2242751-53-5

> <ca.index.name>
Benzoic acid, 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluoro-, hydrochloride (1:1)

> <molecular.formula>
C15H17FN2O3.ClH

> <smiles.canonical>
Cl.O=C(O)C1=CC=C(F)C(OCCCC=2C(=NNC2C)C)=C1

> <molecular.weight>
328.77

$$$$
