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methyl (2E)-3-(2,6-dichlorophenyl)prop-2-enoate

methyl (2E)-3-(2,6-dichlorophenyl)prop-2-enoate

CAS: 46275-03-0

Formula: C10H8Cl2O2

SMILES: COC(=O)C=CC1=C(Cl)C=CC=C1Cl

IUPAC: methyl (2E)-3-(2,6-dichlorophenyl)prop-2-enoate

InChI: InChI=1S/C10H8Cl2O2/c1-14-10(13)6-5-7-8(11)3-2-4-9(7)12/h2-6H,1H3/b6-5+

Composition: C (51.98%), H (3.49%), Cl (30.68%), O (13.85%)

Molar Mass: 231.07

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.9901349
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZNJMTZNUYPTNLN-AATRIKPKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.44
Topological Polar Surface Area 26.3
Polarizability 22.01
Ring Count 1
Rotatable Bond Count 3

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