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22902-87-0 | Benzene, 1-chloro-2-(chloromethyl)-4-(trifluoromethyl)-
CAS No: 22902-87-0 Catalog No: AG002LF9 MDL No:MFCD04972760
Product Description
Catalog Number:
AG002LF9
Chemical Name:
Benzene, 1-chloro-2-(chloromethyl)-4-(trifluoromethyl)-
CAS Number:
22902-87-0
Molecular Formula:
C8H5Cl2F3
Molecular Weight:
229.0265
MDL Number:
MFCD04972760
IUPAC Name:
1-chloro-2-(chloromethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Cl2F3/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
InChI Key:
HIWZQKSEJHGZAZ-UHFFFAOYSA-N
SMILES:
ClCc1cc(ccc1Cl)C(F)(F)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.023g/mol
Monoisotopic Mass:
227.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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