2-bromo-4-fluoro-5-methylaniline

2-bromo-4-fluoro-5-methylaniline

CAS: 1065076-39-2

Formula: C7H7BrFN

SMILES: CC1=CC(N)=C(Br)C=C1F

IUPAC: 2-bromo-4-fluoro-5-methylaniline

InChI: InChI=1S/C7H7BrFN/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,10H2,1H3

Composition: C (41.21%), H (3.46%), Br (39.16%), F (9.31%), N (6.86%)

Molar Mass: 204.042

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.97459
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	TVGJGCSBDAWDTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.64
Topological Polar Surface Area	26.02
Polarizability	15.85
Ring Count	1
Rotatable Bond Count	0

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