Home Carbonyls 2-(1H-1,2,3-Benzotriazole-1-carbonyl)-6-methylphenol

2-(1H-1,2,3-Benzotriazole-1-carbonyl)-6-methylphenol

CAS No.:
888487-61-4
Catalog Number:
AG01EYIJ
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$350
- +
500mg
95%
1 week
United States
$975
- +
Product Description
Catalog Number:
AG01EYIJ
Chemical Name:
2-(1H-1,2,3-Benzotriazole-1-carbonyl)-6-methylphenol
CAS Number:
888487-61-4
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD10700040
IUPAC Name:
benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone
InChI:
InChI=1S/C14H11N3O2/c1-9-5-4-6-10(13(9)18)14(19)17-12-8-3-2-7-11(12)15-16-17/h2-8,18H,1H3
InChI Key:
UZMFKHXVXPTMQC-UHFFFAOYSA-N
SMILES:
Oc1c(C)cccc1C(=O)n1nnc2c1cccc2
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties