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113547-40-3 | Benzene, chloro-1-fluoro-4-(trifluoromethyl)- (9CI)
CAS No: 113547-40-3 Catalog No: AG0008YE MDL No:MFCD00042207
Product Description
Catalog Number:
AG0008YE
Chemical Name:
Benzene, chloro-1-fluoro-4-(trifluoromethyl)- (9CI)
CAS Number:
113547-40-3
Molecular Formula:
C7H3ClF4
Molecular Weight:
198.5453
MDL Number:
MFCD00042207
IUPAC Name:
2-chloro-1-fluoro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3ClF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChI Key:
BKHVEYHSOXVAOP-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Cl)C(F)(F)F
EC Number:
616-586-1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.545g/mol
Monoisotopic Mass:
197.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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