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Home > Nitro Compounds > 65208-34-6
65208-34-6 | phenyl 1-hydroxy-4-nitro-2-naphthoate
CAS No: 65208-34-6 Catalog No: AG00F7K3 MDL No:
Product Description
Catalog Number:
AG00F7K3
Chemical Name:
phenyl 1-hydroxy-4-nitro-2-naphthoate
CAS Number:
65208-34-6
Molecular Formula:
C17H11NO5
Molecular Weight:
309.2729
IUPAC Name:
phenyl 1-hydroxy-4-nitronaphthalene-2-carboxylate
InChI:
InChI=1S/C17H11NO5/c19-16-13-9-5-4-8-12(13)15(18(21)22)10-14(16)17(20)23-11-6-2-1-3-7-11/h1-10,19H
InChI Key:
DMPUGHYNLCGVPX-UHFFFAOYSA-N
SMILES:
O=C(c1cc([N+](=O)[O-])c2c(c1O)cccc2)Oc1ccccc1
EC Number:
265-630-2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.277g/mol
Monoisotopic Mass:
309.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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