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3,4-Dichlorophenylcyanamide

HCID 604254
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Basic information

CAS
18995-48-7
Standard SMILES
N#CNc1ccc(Cl)c(Cl)c1
InChIKey
VGQKZVPHFLOGTN-UHFFFAOYSA-N
Molecular formula
C7H4Cl2N2
Average molar mass
187.02 g/mol
Monoisotopic mass
185.9751535

Names & identifiers

Preferred name
3,4-Dichlorophenylcyanamide
IUPAC
(3,4-dichlorophenyl)cyanamide

Names & synonyms

3,4-Dichlorophenylcyanamide18995-48-73,4-DichloroanilinocarbonitrileDTXSID40345407RefChem:270869DTXCID40296480VGQKZVPHFLOGTN-UHFFFAOYSA-N3,4-Dichlorophenyl cyanamide(3,4-dichlorophenyl)cyanamide3,4-Dichlorophenylcyanamide #SCHEMBL2454012N-(3,4-dichlorophenyl)cyanamide
Show more names
AKOS005305816

Database identifiers

CAS
18995-48-7
PubChem CID
604254
DTXSID
DTXSID40345407

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
35.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
175

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Related reactions

5 records
New reaction record
HRID 414393 reaction equation
HRID 414393As productuspto-grants-1988_12
HRID 414394 reaction equation
HRID 414394As productuspto-grants-1988_12
HRID 673279 reaction equation
HRID 673279As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 679993 reaction equation
HRID 679993As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1023177 reaction equation
HRID 1023177As reactantuspto-grants-2014_05

Compound notes

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