2-bromo-4-fluoro-5-methoxyaniline

2-bromo-4-fluoro-5-methoxyaniline

CAS: 420786-92-1

Formula: C7H7BrFNO

SMILES: COC1=CC(N)=C(Br)C=C1F

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

InChI: InChI=1S/C7H7BrFNO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3

Composition: C (38.21%), H (3.21%), Br (36.31%), F (8.63%), N (6.37%), O (7.27%)

Molar Mass: 220.041

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.969505
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JRWKTSZPTRTXFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.06
Topological Polar Surface Area	35.25
Polarizability	16.69
Ring Count	1
Rotatable Bond Count	1

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