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Home > Nitro Compounds > 139776-16-2
139776-16-2 | Benzoic acid, 4-(3-methoxyphenoxy)-3-nitro-
CAS No: 139776-16-2 Catalog No: AG001BPC MDL No:
Product Description
Catalog Number:
AG001BPC
Chemical Name:
Benzoic acid, 4-(3-methoxyphenoxy)-3-nitro-
CAS Number:
139776-16-2
Molecular Formula:
C14H11NO6
Molecular Weight:
289.2402
IUPAC Name:
4-(3-methoxyphenoxy)-3-nitrobenzoic acid
InChI:
InChI=1S/C14H11NO6/c1-20-10-3-2-4-11(8-10)21-13-6-5-9(14(16)17)7-12(13)15(18)19/h2-8H,1H3,(H,16,17)
InChI Key:
NLPNFNRTRAKAAN-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.243g/mol
Monoisotopic Mass:
289.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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