4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde

4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde

CAS: 115027-23-1

Formula: C7H6ClNO2

SMILES: ClCC(=O)C1=CNC(C=O)=C1

IUPAC: 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde

InChI: InChI=1S/C7H6ClNO2/c8-2-7(11)5-1-6(4-10)9-3-5/h1,3-4,9H,2H2

Composition: C (49.00%), H (3.52%), Cl (20.66%), N (8.16%), O (18.65%)

Molar Mass: 171.58

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.0087061
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WDVCSBMHJIMXIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.43
Topological Polar Surface Area	49.93
Polarizability	15.59
Ring Count	1
Rotatable Bond Count	3

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