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1005764-23-7 | Benzene, 1-chloro-3-fluoro-5-(trifluoromethyl)-
CAS No: 1005764-23-7 Catalog No: AG0002CU MDL No:MFCD11226526
Product Description
Catalog Number:
AG0002CU
Chemical Name:
Benzene, 1-chloro-3-fluoro-5-(trifluoromethyl)-
CAS Number:
1005764-23-7
Molecular Formula:
C7H3ClF4
Molecular Weight:
198.5453
MDL Number:
MFCD11226526
IUPAC Name:
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3ClF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChI Key:
KLZMNQRDDPSCLS-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)C(F)(F)F
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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