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117067-48-8 | Benzamide, N-(1H-benzotriazol-1-ylphenylmethyl)-
CAS No: 117067-48-8 Catalog No: AG000DO0 MDL No:
Product Description
Catalog Number:
AG000DO0
Chemical Name:
Benzamide, N-(1H-benzotriazol-1-ylphenylmethyl)-
CAS Number:
117067-48-8
Molecular Formula:
C20H16N4O
Molecular Weight:
328.3672
IUPAC Name:
N-[benzotriazol-1-yl(phenyl)methyl]benzamide
InChI:
InChI=1S/C20H16N4O/c25-20(16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)22-23-24/h1-14,19H,(H,21,25)
InChI Key:
CRQZKAOOILSOOB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC(n1nnc2c1cccc2)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.375g/mol
Monoisotopic Mass:
328.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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