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4-bromobenzene-1,2-diamine

4-bromobenzene-1,2-diamine

CAS: 1575-37-7

Formula: C6H7BrN2

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

IUPAC: 4-bromobenzene-1,2-diamine

InChI: InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/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 WIHHVKUARKTSBU-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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