Home Halogens Benzoic acid, 3-bromo-2-methyl-5-nitro-

Benzoic acid, 3-bromo-2-methyl-5-nitro-

CAS No.:
1269292-02-5
Catalog Number:
AG000TIM
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
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Product Description
Catalog Number:
AG000TIM
Chemical Name:
Benzoic acid, 3-bromo-2-methyl-5-nitro-
CAS Number:
1269292-02-5
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD20275367
IUPAC Name:
3-bromo-2-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6BrNO4/c1-4-6(8(11)12)2-5(10(13)14)3-7(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
QQHDTQSCWLYJHU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(c(c1)C(=O)O)C
Properties
Complexity:
252  
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:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties