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N-(4-chloro-3-cyanophenyl)prop-2-enamide

N-(4-chloro-3-cyanophenyl)prop-2-enamide

CAS: 1156154-87-8

Formula: C10H7ClN2O

SMILES: ClC1=C(C=C(NC(=O)C=C)C=C1)C#N

IUPAC: N-(4-chloro-3-cyanophenyl)prop-2-enamide

InChI: InChI=1S/C10H7ClN2O/c1-2-10(14)13-8-3-4-9(11)7(5-8)6-12/h2-5H,1H2,(H,13,14)

Composition: C (58.13%), H (3.41%), Cl (17.16%), N (13.56%), O (7.74%)

Molar Mass: 206.63

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.0246906
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NUIRCNOVYZSOEJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.1
Topological Polar Surface Area 52.89
Polarizability 20.54
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
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90% <2 Days 1156154-87-8 $51.35-$86.31$51.35$63.37$86.31
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