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Home > Nitro Compounds > 77244-88-3
77244-88-3 | 3-NITRO-1-(8-QUINOLYLSULFONYL)-1H-1,2,4-TRIAZOLE
CAS No: 77244-88-3 Catalog No: AG005OMR MDL No:
Product Description
Catalog Number:
AG005OMR
Chemical Name:
3-NITRO-1-(8-QUINOLYLSULFONYL)-1H-1,2,4-TRIAZOLE
CAS Number:
77244-88-3
Molecular Formula:
C11H7N5O4S
Molecular Weight:
305.2694
IUPAC Name:
8-[(3-nitro-1,2,4-triazol-1-yl)sulfonyl]quinoline
InChI:
InChI=1S/C11H7N5O4S/c17-16(18)11-13-7-15(14-11)21(19,20)9-5-1-3-8-4-2-6-12-10(8)9/h1-7H
InChI Key:
VFMMVUDTWOVVTC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(n1)S(=O)(=O)c1cccc2c1nccc2
NSC Number:
683534
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.022g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.268g/mol
Monoisotopic Mass:
305.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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