200,000+ products from a single source!
sales@angenechem.com
130384-98-4 | 1H-Benzotriazole-1-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 130384-98-4 Catalog No: AG000UBY MDL No:MFCD00274017
Product Description
Catalog Number:
AG000UBY
Chemical Name:
1H-Benzotriazole-1-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
130384-98-4
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD00274017
IUPAC Name:
tert-butyl benzotriazole-1-carboxylate
InChI:
InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-7-5-4-6-8(9)12-13-14/h4-7H,1-3H3
InChI Key:
NWMQPTCDOIQMHM-UHFFFAOYSA-N
SMILES:
O=C(n1nnc2c1cccc2)OC(C)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.