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123248-22-6 | 2-Propenoic acid, 3-(4-chlorophenyl)-, butyl ester, (2E)-
CAS No: 123248-22-6 Catalog No: AG000K8U MDL No:
Product Description
Catalog Number:
AG000K8U
Chemical Name:
2-Propenoic acid, 3-(4-chlorophenyl)-, butyl ester, (2E)-
CAS Number:
123248-22-6
Molecular Formula:
C13H15ClO2
Molecular Weight:
238.7100
IUPAC Name:
butyl 3-(4-chlorophenyl)prop-2-enoate
InChI:
InChI=1S/C13H15ClO2/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h4-9H,2-3,10H2,1H3
InChI Key:
ZRVNTNLXIDRWBQ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)/C=C/c1ccc(cc1)Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.711g/mol
Monoisotopic Mass:
238.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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