Home Other Building Blocks METHYL 5-CHLORO-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE

METHYL 5-CHLORO-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE

CAS No.:
77978-86-0
Catalog Number:
AG00GGVX
Molecular Formula:
C10H12ClNO4
Molecular Weight:
245.6596
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Product Description
Catalog Number:
AG00GGVX
Chemical Name:
METHYL 5-CHLORO-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE
CAS Number:
77978-86-0
Molecular Formula:
C10H12ClNO4
Molecular Weight:
245.6596
MDL Number:
MFCD00179171
IUPAC Name:
methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C10H12ClNO4/c1-5-8(10(14)16-3)6(9(11)12-5)4-7(13)15-2/h12H,4H2,1-3H3
InChI Key:
HYRGVAYMZCMMCF-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c(Cl)[nH]c(c1C(=O)OC)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.045g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.659g/mol
Monoisotopic Mass:
245.045g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties