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114152-20-4 | Benzene, 2-(chloromethyl)-1,3,4-trifluoro-
CAS No: 114152-20-4 Catalog No: AG000AOA MDL No:MFCD01863175
Product Description
Catalog Number:
AG000AOA
Chemical Name:
Benzene, 2-(chloromethyl)-1,3,4-trifluoro-
CAS Number:
114152-20-4
Molecular Formula:
C7H4ClF3
Molecular Weight:
180.5549
MDL Number:
MFCD01863175
IUPAC Name:
2-(chloromethyl)-1,3,4-trifluorobenzene
InChI:
InChI=1S/C7H4ClF3/c8-3-4-5(9)1-2-6(10)7(4)11/h1-2H,3H2
InChI Key:
XQVJZIBCIQHUKU-UHFFFAOYSA-N
SMILES:
ClCc1c(F)ccc(c1F)F
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.554g/mol
Monoisotopic Mass:
179.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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