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Home > Nitro Compounds > 88086-70-8
88086-70-8 | Benzoic acid, 2-(4-methylphenoxy)-4-nitro-
CAS No: 88086-70-8 Catalog No: AG004H3W MDL No:
Product Description
Catalog Number:
AG004H3W
Chemical Name:
Benzoic acid, 2-(4-methylphenoxy)-4-nitro-
CAS Number:
88086-70-8
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
IUPAC Name:
2-(4-methylphenoxy)-4-nitrobenzoic acid
InChI:
InChI=1S/C14H11NO5/c1-9-2-5-11(6-3-9)20-13-8-10(15(18)19)4-7-12(13)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
WWIUDGDIBGZIDU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Oc1cc(ccc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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