Home Other Building Blocks ITSA-1

ITSA-1

CAS No.:
200626-61-5
Catalog Number:
AG002CW7
Molecular Formula:
C13H7Cl2N3O
Molecular Weight:
292.1202
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
99+%
1 week
United States
$84
- +
250mg
99+%
1 week
United States
$166
- +
Product Description
Catalog Number:
AG002CW7
Chemical Name:
ITSA-1
CAS Number:
200626-61-5
Molecular Formula:
C13H7Cl2N3O
Molecular Weight:
292.1202
MDL Number:
MFCD00195103
IUPAC Name:
benzotriazol-1-yl-(2,4-dichlorophenyl)methanone
InChI:
InChI=1S/C13H7Cl2N3O/c14-8-5-6-9(10(15)7-8)13(19)18-12-4-2-1-3-11(12)16-17-18/h1-7H
InChI Key:
UVNLAUGZMOPBPR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(=O)n1nnc2c1cccc2
Properties
Complexity:
355  
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:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties