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Home > Nitro Compounds > 1799439-01-2
1799439-01-2 | Benzoic acid, 5-methoxy-2-nitro-4-phenoxy-
CAS No: 1799439-01-2 Catalog No: AG0021I3 MDL No:
Product Description
Catalog Number:
AG0021I3
Chemical Name:
Benzoic acid, 5-methoxy-2-nitro-4-phenoxy-
CAS Number:
1799439-01-2
Molecular Formula:
C14H11NO6
Molecular Weight:
289.2402
IUPAC Name:
5-methoxy-2-nitro-4-phenoxybenzoic acid
InChI:
InChI=1S/C14H11NO6/c1-20-12-7-10(14(16)17)11(15(18)19)8-13(12)21-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,17)
InChI Key:
BJJDKRPRWZGPSU-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1Oc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
376
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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