200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 565194-76-5
565194-76-5 | 4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoic acid
CAS No: 565194-76-5 Catalog No: AG019I20 MDL No:MFCD03970020
Product Description
Catalog Number:
AG019I20
Chemical Name:
4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoic acid
CAS Number:
565194-76-5
Molecular Formula:
C9H7N5O4S
Molecular Weight:
281.2480
MDL Number:
MFCD03970020
IUPAC Name:
4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoic acid
InChI:
InChI=1S/C9H7N5O4S/c1-13-9(10-11-12-13)19-7-3-2-5(8(15)16)4-6(7)14(17)18/h2-4H,1H3,(H,15,16)
InChI Key:
ARCIDFHGDQRFMG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1nnnn1C)C(=O)O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.246g/mol
Monoisotopic Mass:
281.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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.