200,000+ products from a single source!
sales@angenechem.com
129-94-2 | Acetic acid, 2-[(8-chloro-1-naphthalenyl)thio]-
CAS No: 129-94-2 Catalog No: AG000YR3 MDL No:MFCD00043901
Product Description
Catalog Number:
AG000YR3
Chemical Name:
Acetic acid, 2-[(8-chloro-1-naphthalenyl)thio]-
CAS Number:
129-94-2
Molecular Formula:
C12H9ClO2S
Molecular Weight:
252.7167
MDL Number:
MFCD00043901
IUPAC Name:
2-(8-chloronaphthalen-1-yl)sulfanylacetic acid
InChI:
InChI=1S/C12H9ClO2S/c13-9-5-1-3-8-4-2-6-10(12(8)9)16-7-11(14)15/h1-6H,7H2,(H,14,15)
InChI Key:
WPNAGQJVWAFQJV-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1cccc2c1c(Cl)ccc2
EC Number:
204-971-3
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.712g/mol
Monoisotopic Mass:
252.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.