ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

ethyl 4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

CAS: 125102-42-3

Formula: C11H14ClNO3

SMILES: CCOC(=O)C1=C(C)NC(C)=C1C(=O)CCl

IUPAC: 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

Composition: C (54.22%), H (5.79%), Cl (14.55%), N (5.75%), O (19.70%)

Molar Mass: 243.69

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.066221
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZRAOZMOUBXPYMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.05
Topological Polar Surface Area	59.16
Polarizability	23.48
Ring Count	1
Rotatable Bond Count	5

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