Home Carbonyls 1-[4-(1H-1,2,3-Benzotriazole-1-carbonyl)benzoyl]-1H-1,2,3-benzotriazole

1-[4-(1H-1,2,3-Benzotriazole-1-carbonyl)benzoyl]-1H-1,2,3-benzotriazole

CAS No.:
101008-15-5
Catalog Number:
AG01EQL5
Molecular Formula:
C20H12N6O2
Molecular Weight:
368.3483
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
tech
1 week
United States
$212
- +
Product Description
Catalog Number:
AG01EQL5
Chemical Name:
1-[4-(1H-1,2,3-Benzotriazole-1-carbonyl)benzoyl]-1H-1,2,3-benzotriazole
CAS Number:
101008-15-5
Molecular Formula:
C20H12N6O2
Molecular Weight:
368.3483
MDL Number:
MFCD00356292
IUPAC Name:
[4-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone
InChI:
InChI=1S/C20H12N6O2/c27-19(25-17-7-3-1-5-15(17)21-23-25)13-9-11-14(12-10-13)20(28)26-18-8-4-2-6-16(18)22-24-26/h1-12H
InChI Key:
PNENGEFVBQPWCZ-UHFFFAOYSA-N
SMILES:
O=C(n1nnc2c1cccc2)c1ccc(cc1)C(=O)n1nnc2c1cccc2
Properties
Complexity:
556  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.102g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.356g/mol
Monoisotopic Mass:
368.102g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties