2-(bromomethyl)-1-chloro-4-nitrobenzene

2-(bromomethyl)-1-chloro-4-nitrobenzene

CAS: 52427-01-7

Formula: C7H5BrClNO2

SMILES: [O-][N+](=O)C1=CC(CBr)=C(Cl)C=C1

IUPAC: 2-(bromomethyl)-1-chloro-4-nitrobenzene

InChI: InChI=1S/C7H5BrClNO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2

Composition: C (33.57%), H (2.01%), Br (31.90%), Cl (14.15%), N (5.59%), O (12.77%)

Molar Mass: 250.48

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.919219
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OGWGXOGPGAAWPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.03
Topological Polar Surface Area	43.14
Polarizability	18.89
Ring Count	1
Rotatable Bond Count	2

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95%	<2 Days	52427-01-7		$51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70

Struchem co.,ltd

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