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Phenylcarbamate (HCID 21896570)|Huagongshe
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Compound
Phenylcarbamate
HCID
21896570
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C([O-])Nc1ccccc1
InChIKey
PWXJULSLLONQHY-UHFFFAOYSA-M
Molecular formula
C7H6NO2-
Average molar mass
136.13 g/mol
Monoisotopic mass
136.03985343
Names & identifiers
Preferred name
Phenylcarbamate
IUPAC
N-phenylcarbamate
Names & synonyms
phenylcarbamate
phenylcarbarnate
PWXJULSLLONQHY-UHFFFAOYSA-M
Database identifiers
PubChem CID
21896570
Nikkaji
J1.125.331H
Properties
Computed structural properties
XLogP
1.9
Topological polar surface area
52.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Formal charge
-1
Complexity
113
Show all 8
Show all 8 / 8
Related reactions
13 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
231405
As reactant
uspto-grants-1989_07
HRID
620672
As reactant
uspto-grants-1989_04
HRID
958438
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
989215
As reactant
uspto-grants-2003_10
HRID
1108011
As reactant
uspto-grants-2000_05
HRID
1199301
As reactant
uspto-grants-1990_02
HRID
1235168
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1253137
As reactant
uspto-grants-1988_05
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