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175135-56-5 | Benzoic acid, 3-chloro-2,6-dimethoxy-5-nitro-
CAS No: 175135-56-5 Catalog No: AG00207N MDL No:MFCD00052955
Product Description
Catalog Number:
AG00207N
Chemical Name:
Benzoic acid, 3-chloro-2,6-dimethoxy-5-nitro-
CAS Number:
175135-56-5
Molecular Formula:
C9H8ClNO6
Molecular Weight:
261.6159
MDL Number:
MFCD00052955
IUPAC Name:
3-chloro-2,6-dimethoxy-5-nitrobenzoic acid
InChI:
InChI=1S/C9H8ClNO6/c1-16-7-4(10)3-5(11(14)15)8(17-2)6(7)9(12)13/h3H,1-2H3,(H,12,13)
InChI Key:
DQYMZXRGXUJHLS-UHFFFAOYSA-N
SMILES:
COc1c(cc(c(c1C(=O)O)OC)Cl)[N+](=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.614g/mol
Monoisotopic Mass:
261.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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