200,000+ products from a single source!
sales@angenechem.com
28691-49-8 | 1,2-Benzisoxazole-3-carboxylic acid, 6-chloro-
CAS No: 28691-49-8 Catalog No: AG002W45 MDL No:MFCD09027540
Product Description
Catalog Number:
AG002W45
Chemical Name:
1,2-Benzisoxazole-3-carboxylic acid, 6-chloro-
CAS Number:
28691-49-8
Molecular Formula:
C8H4ClNO3
Molecular Weight:
197.5753
MDL Number:
MFCD09027540
IUPAC Name:
6-chloro-1,2-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12)
InChI Key:
NWWICAZKQSVOGE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)onc2C(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.988g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.574g/mol
Monoisotopic Mass:
196.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.