2-bromo-3-methylaniline

2-bromo-3-methylaniline

CAS: 54879-20-8

Formula: C7H8BrN

SMILES: CC1=CC=CC(N)=C1Br

IUPAC: 2-bromo-3-methylaniline

InChI: InChI=1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3

Composition: C (45.19%), H (4.33%), Br (42.95%), N (7.53%)

Molar Mass: 186.052

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.984012
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	VJNUZLYTGSGDHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.42
Topological Polar Surface Area	26.02
Polarizability	16.01
Ring Count	1
Rotatable Bond Count	0

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