Home Halogens Benzoic acid, 3-(bromomethyl)-2-nitro-, methyl ester

Benzoic acid, 3-(bromomethyl)-2-nitro-, methyl ester

CAS No.:
132874-06-7
Catalog Number:
AG0011B2
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
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Product Description
Catalog Number:
AG0011B2
Chemical Name:
Benzoic acid, 3-(bromomethyl)-2-nitro-, methyl ester
CAS Number:
132874-06-7
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD09863874
IUPAC Name:
methyl 3-(bromomethyl)-2-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c1-15-9(12)7-4-2-3-6(5-10)8(7)11(13)14/h2-4H,5H2,1H3
InChI Key:
GBBIAIKDRXKCQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1[N+](=O)[O-])CBr
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties