Home Nitros 3-iodo-2-methyl-5-nitrobenzoic acid

3-iodo-2-methyl-5-nitrobenzoic acid

CAS No.:
1005499-46-6
Catalog Number:
AG01AKBU
Molecular Formula:
C8H6INO4
Molecular Weight:
307.0420
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Product Description
Catalog Number:
AG01AKBU
Chemical Name:
3-iodo-2-methyl-5-nitrobenzoic acid
CAS Number:
1005499-46-6
Molecular Formula:
C8H6INO4
Molecular Weight:
307.0420
MDL Number:
MFCD22199860
IUPAC Name:
3-iodo-2-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6INO4/c1-4-6(8(11)12)2-5(10(13)14)3-7(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
QKUHRLBOOQGPNW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(I)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:
306.934g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.043g/mol
Monoisotopic Mass:
306.934g/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