3-bromobenzene-1,2-diamine

3-bromobenzene-1,2-diamine

CAS: 1575-36-6

Formula: C6H7BrN2

SMILES: NC1=C(N)C(Br)=CC=C1

IUPAC: 3-bromobenzene-1,2-diamine

InChI: InChI=1S/C6H7BrN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2

Composition: C (38.53%), H (3.77%), Br (42.72%), N (14.98%)

Molar Mass: 187.04

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.979261
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VWYTZNPMXYCBPK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.08
Topological Polar Surface Area	52.04
Polarizability	15.44
Ring Count	1
Rotatable Bond Count	0

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