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125102-42-3 | 1H-Pyrrole-3-carboxylic acid, 4-(2-chloroacetyl)-2,5-dimethyl-, ethyl ester
CAS No: 125102-42-3 Catalog No: AG000N6S MDL No:MFCD03950735
Product Description
Catalog Number:
AG000N6S
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4-(2-chloroacetyl)-2,5-dimethyl-, ethyl ester
CAS Number:
125102-42-3
Molecular Formula:
C11H14ClNO3
Molecular Weight:
243.6868
MDL Number:
MFCD03950735
IUPAC Name:
ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C11H14ClNO3/c1-4-16-11(15)10-7(3)13-6(2)9(10)8(14)5-12/h13H,4-5H2,1-3H3
InChI Key:
ZRAOZMOUBXPYMW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)[nH]c(c1C(=O)CCl)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.687g/mol
Monoisotopic Mass:
243.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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