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Home > Nitro Compounds > 29002-11-7
29002-11-7 | Benzoic acid, 2-hydroxy-, 7-nitro-8-quinolinyl ester
CAS No: 29002-11-7 Catalog No: AG002V6Q MDL No:
Product Description
Catalog Number:
AG002V6Q
Chemical Name:
Benzoic acid, 2-hydroxy-, 7-nitro-8-quinolinyl ester
CAS Number:
29002-11-7
Molecular Formula:
C16H10N2O5
Molecular Weight:
310.2610
IUPAC Name:
(7-nitroquinolin-8-yl) 2-hydroxybenzoate
InChI:
InChI=1S/C16H10N2O5/c19-13-6-2-1-5-11(13)16(20)23-15-12(18(21)22)8-7-10-4-3-9-17-14(10)15/h1-9,19H
InChI Key:
KZIKYUWMIPWNGR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)Oc1c2ncccc2ccc1[N+](=O)[O-]
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.265g/mol
Monoisotopic Mass:
310.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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