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13179-02-7 | 2-Propenoic acid, 2,3,3-trichloro-, 4-benzoylphenyl ester
CAS No: 13179-02-7 Catalog No: AG000ZR0 MDL No:
Product Description
Catalog Number:
AG000ZR0
Chemical Name:
2-Propenoic acid, 2,3,3-trichloro-, 4-benzoylphenyl ester
CAS Number:
13179-02-7
Molecular Formula:
C16H9Cl3O3
Molecular Weight:
355.5999
IUPAC Name:
(4-benzoylphenyl) 2,3,3-trichloroprop-2-enoate
InChI:
InChI=1S/C16H9Cl3O3/c17-13(15(18)19)16(21)22-12-8-6-11(7-9-12)14(20)10-4-2-1-3-5-10/h1-9H
InChI Key:
JWDDHAMMRSKDRA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)OC(=O)C(=C(Cl)Cl)Cl
NSC Number:
74881
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.962g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.595g/mol
Monoisotopic Mass:
353.962g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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