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3-chloro-N-(4-hydroxyphenyl)propanamide

3-chloro-N-(4-hydroxyphenyl)propanamide

CAS: 19314-10-4

Formula: C9H10ClNO2

SMILES: OC1=CC=C(NC(=O)CCCl)C=C1

IUPAC: 3-chloro-N-(4-hydroxyphenyl)propanamide

InChI: InChI=1S/C9H10ClNO2/c10-6-5-9(13)11-7-1-3-8(12)4-2-7/h1-4,12H,5-6H2,(H,11,13)

Composition: C (54.15%), H (5.05%), Cl (17.76%), N (7.02%), O (16.03%)

Molar Mass: 199.63

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.0400063
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QMHVIXPPSYYGJY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.35
Topological Polar Surface Area 49.33
Polarizability 19.51
Ring Count 1
Rotatable Bond Count 3

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