Home Halogens 2-(bromomethyl)-5-nitrobenzoic acid

2-(bromomethyl)-5-nitrobenzoic acid

CAS No.:
21626-93-7
Catalog Number:
AG01A2ZA
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
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Product Description
Catalog Number:
AG01A2ZA
Chemical Name:
2-(bromomethyl)-5-nitrobenzoic acid
CAS Number:
21626-93-7
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD22053120
IUPAC Name:
2-(bromomethyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6BrNO4/c9-4-5-1-2-6(10(13)14)3-7(5)8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
VJQUJFBMLKJQIY-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties