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Home > Nitro Compounds > 2327-45-9
2327-45-9 | Benzoic acid, 5-methoxy-2-nitro-, methyl ester
CAS No: 2327-45-9 Catalog No: AG002MQH MDL No:MFCD00662902
Product Description
Catalog Number:
AG002MQH
Chemical Name:
Benzoic acid, 5-methoxy-2-nitro-, methyl ester
CAS Number:
2327-45-9
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD00662902
IUPAC Name:
methyl 5-methoxy-2-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5H,1-2H3
InChI Key:
UAPJKEJWOPOJJY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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