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methyl (2E)-3-(4-chlorophenyl)prop-2-enoate

methyl (2E)-3-(4-chlorophenyl)prop-2-enoate

CAS: 7560-44-3

Formula: C10H9ClO2

SMILES: COC(=O)C=CC1=CC=C(Cl)C=C1

IUPAC: methyl (2E)-3-(4-chlorophenyl)prop-2-enoate

InChI: InChI=1S/C10H9ClO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+

Composition: C (61.08%), H (4.61%), Cl (18.03%), O (16.27%)

Molar Mass: 196.63

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.0291072
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IIBXQGYKZKOORG-QPJJXVBHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.63
Topological Polar Surface Area 26.3
Polarizability 20.08
Ring Count 1
Rotatable Bond Count 3

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