Chlorphenesin carbamate
C10H12ClNO4
886-74-8 Copyright (C) 2024 ACS
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.3348    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   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
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 16  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
M  END
> <cas.rn>
886-74-8

> <cas.index.name>
1,2-Propanediol, 3-(4-chlorophenoxy)-, 1-carbamate

> <molecular.formula>
C10H12ClNO4

> <molecular.weight>
245.66

> <melting.point.experimental>
89-91 °C

> <boiling.point.predicted>
481.831±40.00 °C    Press: 760.00 Torr

> <density.predicted>
1.365±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.988±0.20    Most Acidic Temp: 25 °C

$$$$
