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722522-75-0 | 4-{3-[4-(Trifluoromethyl)phenyl]prop-2-enoyl}benzoic acid
CAS No: 722522-75-0 Catalog No: AG01EX3I MDL No:
Product Description
Catalog Number:
AG01EX3I
Chemical Name:
4-{3-[4-(Trifluoromethyl)phenyl]prop-2-enoyl}benzoic acid
CAS Number:
722522-75-0
Molecular Formula:
C17H11F3O3
Molecular Weight:
320.2626
IUPAC Name:
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]benzoic acid
InChI:
InChI=1S/C17H11F3O3/c18-17(19,20)14-8-1-11(2-9-14)3-10-15(21)12-4-6-13(7-5-12)16(22)23/h1-10H,(H,22,23)
InChI Key:
AYUJMXXCIWPUBR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)O)/C=C/c1ccc(cc1)C(F)(F)F
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.267g/mol
Monoisotopic Mass:
320.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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