200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1387578-52-0
1387578-52-0 | 1H-Pyrrole-2-carboxylic acid, 3-chloro-1-methyl-
CAS No: 1387578-52-0 Catalog No: AG0019H8 MDL No:MFCD27996609
Product Description
Catalog Number:
AG0019H8
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-chloro-1-methyl-
CAS Number:
1387578-52-0
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD27996609
IUPAC Name:
3-chloro-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H6ClNO2/c1-8-3-2-4(7)5(8)6(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
VYDZYJKQHNQGDI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ccn1C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.569g/mol
Monoisotopic Mass:
159.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.