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81817-26-7 | 1,2,4-Benzotriazine, 7-chloro-3-(4-chlorophenyl)-
CAS No: 81817-26-7 Catalog No: AG0056Q4 MDL No:
Product Description
Catalog Number:
AG0056Q4
Chemical Name:
1,2,4-Benzotriazine, 7-chloro-3-(4-chlorophenyl)-
CAS Number:
81817-26-7
Molecular Formula:
C13H7Cl2N3
Molecular Weight:
276.1208
IUPAC Name:
7-chloro-3-(4-chlorophenyl)-1,2,4-benzotriazine
InChI:
InChI=1S/C13H7Cl2N3/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-18-13/h1-7H
InChI Key:
ZSUDKAQXPBXXNF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nnc2c(n1)ccc(c2)Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.12g/mol
Monoisotopic Mass:
275.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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