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Home > Nitro Compounds > 874523-84-9
874523-84-9 | 2-(BENZYLOXY)-5-NITROBENZOIC ACID
CAS No: 874523-84-9 Catalog No: AG00H074 MDL No:MFCD00527903
Product Description
Catalog Number:
AG00H074
Chemical Name:
2-(BENZYLOXY)-5-NITROBENZOIC ACID
CAS Number:
874523-84-9
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD00527903
IUPAC Name:
5-nitro-2-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H11NO5/c16-14(17)12-8-11(15(18)19)6-7-13(12)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChI Key:
TWTZZVAECIFSEO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1OCc1ccccc1)[N+](=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:
2.9
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