200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261491-28-4
1261491-28-4 | 3-Pyridinecarboxylic acid, 4-chloro-2-methyl-, methyl ester
CAS No: 1261491-28-4 Catalog No: AG000RSN MDL No:MFCD18417481
Product Description
Catalog Number:
AG000RSN
Chemical Name:
3-Pyridinecarboxylic acid, 4-chloro-2-methyl-, methyl ester
CAS Number:
1261491-28-4
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD18417481
IUPAC Name:
methyl 4-chloro-2-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H8ClNO2/c1-5-7(8(11)12-2)6(9)3-4-10-5/h3-4H,1-2H3
InChI Key:
PMWJYAHNDINWIY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)ccnc1C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.