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Home > Nitro Compounds > 17903-89-8
17903-89-8 | Benzoic acid, 3-nitro-4-(phenylmethoxy)-
CAS No: 17903-89-8 Catalog No: AG0026QG MDL No:MFCD03425435
Product Description
Catalog Number:
AG0026QG
Chemical Name:
Benzoic acid, 3-nitro-4-(phenylmethoxy)-
CAS Number:
17903-89-8
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD03425435
IUPAC Name:
3-nitro-4-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H11NO5/c16-14(17)11-6-7-13(12(8-11)15(18)19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChI Key:
ZPGYWCMZSUFFFM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OCc1ccccc1)C(=O)O
Properties
Complexity:
348
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:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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