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4231-70-3 | 1-(4-Chlorobenzoyl)-1H-benzotriazole
CAS No: 4231-70-3 Catalog No: AG003CYQ MDL No:MFCD00475616
Product Description
Catalog Number:
AG003CYQ
Chemical Name:
1-(4-Chlorobenzoyl)-1H-benzotriazole
CAS Number:
4231-70-3
MDL Number:
MFCD00475616
IUPAC Name:
benzotriazol-1-yl-(4-chlorophenyl)methanone
InChI:
InChI=1S/C13H8ClN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H
InChI Key:
BLJBQVQHDXUDTE-UHFFFAOYSA-N
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.677g/mol
Monoisotopic Mass:
257.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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