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29007-08-7 | Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester
CAS No: 29007-08-7 Catalog No: AG002V6F MDL No:
Product Description
Catalog Number:
AG002V6F
Chemical Name:
Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester
CAS Number:
29007-08-7
Molecular Formula:
C16H9IN2O4
Molecular Weight:
420.1581
IUPAC Name:
(7-nitroquinolin-8-yl) 2-iodobenzoate
InChI:
InChI=1S/C16H9IN2O4/c17-12-6-2-1-5-11(12)16(20)23-15-13(19(21)22)8-7-10-4-3-9-18-14(10)15/h1-9H
InChI Key:
GYWVEHGLPULNBL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)Oc1c2ncccc2ccc1[N+](=O)[O-]
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.961g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.162g/mol
Monoisotopic Mass:
419.961g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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