200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 204196-80-5
204196-80-5 | Benzoic acid, 3-(1H-tetrazol-1-yl)-
CAS No: 204196-80-5 Catalog No: AG0029BR MDL No:MFCD00574247
Product Description
Catalog Number:
AG0029BR
Chemical Name:
Benzoic acid, 3-(1H-tetrazol-1-yl)-
CAS Number:
204196-80-5
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD00574247
IUPAC Name:
3-(tetrazol-1-yl)benzoic acid
InChI:
InChI=1S/C8H6N4O2/c13-8(14)6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,(H,13,14)
InChI Key:
UNTMKIYQHROFCP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1cnnn1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.