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Diphenylcarbamic acid (HCID 447412)|Huagongshe
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Compound
Diphenylcarbamic acid
HCID
447412
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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)N(c1ccccc1)c1ccccc1
InChIKey
GABQKHQNXWNJJJ-UHFFFAOYSA-N
Molecular formula
C13H11NO2
Average molar mass
213.23 g/mol
Monoisotopic mass
213.07897859
Names & identifiers
Preferred name
Diphenylcarbamic acid
IUPAC
diphenylcarbamic acid
Names & synonyms
diphenylcarbamic acid
SCHEMBL19778
SCHEMBL2091516
SCHEMBL11682075
SCHEMBL11682083
4ND
Database identifiers
PubChem CID
447412
Nikkaji
J550.519D
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
212
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
176263
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
805262
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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