Home Nitros 4-Chloro-2-nitrobenzyl bromide

4-Chloro-2-nitrobenzyl bromide

CAS No.:
52311-59-8
Catalog Number:
AG00DBJV
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
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Product Description
Catalog Number:
AG00DBJV
Chemical Name:
4-Chloro-2-nitrobenzyl bromide
CAS Number:
52311-59-8
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD09745269
IUPAC Name:
1-(bromomethyl)-4-chloro-2-nitrobenzene
InChI:
InChI=1S/C7H5BrClNO2/c8-4-5-1-2-6(9)3-7(5)10(11)12/h1-3H,4H2
InChI Key:
DJYOHIQKJHEBBB-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1[N+](=O)[O-])Cl
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.919g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.476g/mol
Monoisotopic Mass:
248.919g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties