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Home > Nitro Compounds > 819870-00-3
819870-00-3 | Benzoic acid, 3-hydroxy-4-nitro-, 2-phenoxyethyl ester
CAS No: 819870-00-3 Catalog No: AG0054O1 MDL No:
Product Description
Catalog Number:
AG0054O1
Chemical Name:
Benzoic acid, 3-hydroxy-4-nitro-, 2-phenoxyethyl ester
CAS Number:
819870-00-3
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
2-phenoxyethyl 3-hydroxy-4-nitrobenzoate
InChI:
InChI=1S/C15H13NO6/c17-14-10-11(6-7-13(14)16(19)20)15(18)22-9-8-21-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChI Key:
DHJINPQSUUBWKM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)O)[N+](=O)[O-])OCCOc1ccccc1
Properties
Complexity:
377
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:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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