5-(bromomethyl)-1,3-difluoro-2-nitrobenzene

5-(bromomethyl)-1,3-difluoro-2-nitrobenzene

CAS: 1123172-90-6

Formula: C7H4BrF2NO2

SMILES: [O-][N+](=O)C1=C(F)C=C(CBr)C=C1F

IUPAC: 5-(bromomethyl)-1,3-difluoro-2-nitrobenzene

InChI: InChI=1S/C7H4BrF2NO2/c8-3-4-1-5(9)7(11(12)13)6(10)2-4/h1-2H,3H2

Composition: C (33.36%), H (1.60%), Br (31.71%), F (15.08%), N (5.56%), O (12.70%)

Molar Mass: 252.015

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.939348
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HHGDRLWUNUBJEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.66
Topological Polar Surface Area	43.14
Polarizability	16.73
Ring Count	1
Rotatable Bond Count	2

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