Home Nitros 2,4-Dinitrobenzyl Bromide

2,4-Dinitrobenzyl Bromide

CAS No.:
3013-38-5
Catalog Number:
AG00383B
Molecular Formula:
C7H5BrN2O4
Molecular Weight:
261.0296
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Product Description
Catalog Number:
AG00383B
Chemical Name:
2,4-Dinitrobenzyl Bromide
CAS Number:
3013-38-5
Molecular Formula:
C7H5BrN2O4
Molecular Weight:
261.0296
MDL Number:
MFCD00792410
IUPAC Name:
1-(bromomethyl)-2,4-dinitrobenzene
InChI:
InChI=1S/C7H5BrN2O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4H2
InChI Key:
ZDBJFAWRZSOCMM-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.943g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.031g/mol
Monoisotopic Mass:
259.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties