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Home > Nitro Compounds > 1221791-72-5
1221791-72-5 | 2-(benzyloxy)-5-methoxy-3-nitrobenzoic acid
CAS No: 1221791-72-5 Catalog No: AG00IWEY MDL No:MFCD16140333
Product Description
Catalog Number:
AG00IWEY
Chemical Name:
2-(benzyloxy)-5-methoxy-3-nitrobenzoic acid
CAS Number:
1221791-72-5
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
MDL Number:
MFCD16140333
IUPAC Name:
5-methoxy-3-nitro-2-phenylmethoxybenzoic acid
InChI:
InChI=1S/C15H13NO6/c1-21-11-7-12(15(17)18)14(13(8-11)16(19)20)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChI Key:
RBJBSBKZKPBLTP-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c(c1)C(=O)O)OCc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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