200,000+ products from a single source!
sales@angenechem.com
2078-42-4 | Benzoic acid, 2,3,6-trichloro-, sodium salt (1:1)
CAS No: 2078-42-4 Catalog No: AG002JAW MDL No:
Product Description
Catalog Number:
AG002JAW
Chemical Name:
Benzoic acid, 2,3,6-trichloro-, sodium salt (1:1)
CAS Number:
2078-42-4
Molecular Formula:
C7H2Cl3NaO2
Molecular Weight:
247.4384
IUPAC Name:
sodium;2,3,6-trichlorobenzoate
InChI:
InChI=1S/C7H3Cl3O2.Na/c8-3-1-2-4(9)6(10)5(3)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1
InChI Key:
DPMABEYFRYKAHD-UHFFFAOYSA-M
SMILES:
Clc1ccc(c(c1Cl)C(=O)[O-])Cl.[Na+]
EC Number:
218-205-0
UNII:
8FE75DUO4C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.902g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.431g/mol
Monoisotopic Mass:
245.902g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.