(2E)-1-(4-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one

(2E)-1-(4-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one

CAS: 28587-05-5

Formula: C11H12ClNO

SMILES: CN(C)C=CC(=O)C1=CC=C(Cl)C=C1

IUPAC: (2E)-1-(4-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one

InChI: InChI=1S/C11H12ClNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b8-7+

Composition: C (63.01%), H (5.77%), Cl (16.91%), N (6.68%), O (7.63%)

Molar Mass: 209.67

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.0607417
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TWBABRJLWCBTBS-BQYQJAHWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.62
Topological Polar Surface Area	20.31
Polarizability	22.35
Ring Count	1
Rotatable Bond Count	3

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