3-Chlorobenzylamine

CAT: 0926-FC37239Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FC37239Size:100 g

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CAS Number

4152-90-3

MDL Number

MFCD00040752

Smiles

C1=CC (=CC (=C1) Cl) CN

Molecular Formula

C7H8ClN

Molecular Weight

141.6 g/mol

Controlled

Chemical Information

Benzenemethanamine, 3-chloro-

CAS Number	4152-90-3
PubChem CID	77802
IUPAC Name	(3-chlorophenyl)methanamine
Molecular Formula	C7H8ClN
Molecular Weight	141.60
XLogP	1.7
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

C1=CC(=CC(=C1)Cl)CN

InChI

InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

InChIKey

BJFPYGGTDAYECS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4152-90-3

CID: 77802

Formula: C7H8ClN

MW: 141.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.60
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	141.0345270
Monoisotopic Mass	141.0345270
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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