3-Bromo-4-(cyclopropylamino)-benzonitrile

HCID 21998727
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Basic information

Standard SMILES
N#Cc1ccc(NC2CC2)c(Br)c1
InChIKey
WDQGOORIULAYFD-UHFFFAOYSA-N
Molecular formula
C10H9BrN2
Average molar mass
237.1 g/mol

Names & identifiers

Preferred name
3-Bromo-4-(cyclopropylamino)-benzonitrile
IUPAC
3-bromo-4-(cyclopropylamino)benzonitrile

Names & synonyms

3-Bromo-4-(cyclopropylamino)-benzonitrile256936-18-2Benzonitrile, 3-bromo-4-(cyclopropylamino)-3-bromo-4-(cyclopropylamino)benzonitrileSCHEMBL7920895WDQGOORIULAYFD-UHFFFAOYSA-N3-bromo-4-cyclopropylaminobenzonitrileAKOS021031371A1-00808

Database identifiers

PubChem CID
21998727

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
35.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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