200,000+ products from a single source!
sales@angenechem.com
1194-96-3 | 1H-Pyrrole-2-carboxylic acid, 4-chloro-, methyl ester
CAS No: 1194-96-3 Catalog No: AG000IPA MDL No:MFCD11176523
Product Description
Catalog Number:
AG000IPA
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-chloro-, methyl ester
CAS Number:
1194-96-3
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD11176523
IUPAC Name:
methyl 4-chloro-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H6ClNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChI Key:
LHGVCFRRQZZMCK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c[nH]1)Cl
Properties
Complexity:
140
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:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.