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13633-87-9 | 2-Propenoic acid, 4-chlorophenyl ester
CAS No: 13633-87-9 Catalog No: AG0011O9 MDL No:MFCD00080441
Product Description
Catalog Number:
AG0011O9
Chemical Name:
2-Propenoic acid, 4-chlorophenyl ester
CAS Number:
13633-87-9
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD00080441
IUPAC Name:
(4-chlorophenyl) prop-2-enoate
InChI:
InChI=1S/C9H7ClO2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h2-6H,1H2
InChI Key:
IGHDIBHFCIOXGK-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1ccc(cc1)Cl
NSC Number:
160071
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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