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189024-28-0

189024-28-0 | Benzoic acid, 2-chloro-3,5-difluoro-4-(2-propen-1-yl)-

CAS No: 189024-28-0 Catalog No: AG002HPY MDL No:

Product Description

Catalog Number:
AG002HPY
Chemical Name:
Benzoic acid, 2-chloro-3,5-difluoro-4-(2-propen-1-yl)-
CAS Number:
189024-28-0
Molecular Formula:
C10H7ClF2O2
Molecular Weight:
232.6112
IUPAC Name:
2-chloro-3,5-difluoro-4-prop-2-enylbenzoic acid
InChI:
InChI=1S/C10H7ClF2O2/c1-2-3-5-7(12)4-6(10(14)15)8(11)9(5)13/h2,4H,1,3H2,(H,14,15)
InChI Key:
YSDQFRNJOQPCTO-UHFFFAOYSA-N
SMILES:
C=CCc1c(F)cc(c(c1F)Cl)C(=O)O

Properties

Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.611g/mol
Monoisotopic Mass:
232.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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