Home Nitros 2-Bromo-6-methyl-4-nitrobenzoic acid

2-Bromo-6-methyl-4-nitrobenzoic acid

CAS No.:
1807209-44-4
Catalog Number:
AG00I06M
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
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Product Description
Catalog Number:
AG00I06M
Chemical Name:
2-Bromo-6-methyl-4-nitrobenzoic acid
CAS Number:
1807209-44-4
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD28745203
IUPAC Name:
2-bromo-6-methyl-4-nitrobenzoic acid
InChI:
InChI=1S/C8H6BrNO4/c1-4-2-5(10(13)14)3-6(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
OEZGSEGSWSTHCF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(cc1Br)[N+](=O)[O-]
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