2-bromo-3,4-difluoro-6-nitroaniline

2-bromo-3,4-difluoro-6-nitroaniline

CAS: 112062-62-1

Formula: C6H3BrF2N2O2

SMILES: NC1=C(Br)C(F)=C(F)C=C1[N+]([O-])=O

IUPAC: 2-bromo-3,4-difluoro-6-nitroaniline

InChI: InChI=1S/C6H3BrF2N2O2/c7-4-5(9)2(8)1-3(6(4)10)11(12)13/h1H,10H2

Composition: C (28.48%), H (1.20%), Br (31.58%), F (15.02%), N (11.07%), O (12.65%)

Molar Mass: 253.003

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.934597
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JNHVRINUNRDTQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.13
Topological Polar Surface Area	69.16
Polarizability	16.26
Ring Count	1
Rotatable Bond Count	1

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