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87999-67-5 | 1,2,3-Benzotriazine, 6-chloro-4-(2-chlorophenyl)-, 3-oxide
CAS No: 87999-67-5 Catalog No: AG004H16 MDL No:
Product Description
Catalog Number:
AG004H16
Chemical Name:
1,2,3-Benzotriazine, 6-chloro-4-(2-chlorophenyl)-, 3-oxide
CAS Number:
87999-67-5
Molecular Formula:
C13H7Cl2N3O
Molecular Weight:
292.1202
IUPAC Name:
6-chloro-4-(2-chlorophenyl)-3-oxido-1,2,3-benzotriazin-3-ium
InChI:
InChI=1S/C13H7Cl2N3O/c14-8-5-6-12-10(7-8)13(18(19)17-16-12)9-3-1-2-4-11(9)15/h1-7H
InChI Key:
BTAHOSUUESWGCF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c([n+](nn2)[O-])c1ccccc1Cl
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.997g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.119g/mol
Monoisotopic Mass:
290.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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