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805323-40-4 | Benzene, 1-(chloromethyl)-4-(1-chloro-2,2,2-trifluoroethyl)-
CAS No: 805323-40-4 Catalog No: AG005KN3 MDL No:
Product Description
Catalog Number:
AG005KN3
Chemical Name:
Benzene, 1-(chloromethyl)-4-(1-chloro-2,2,2-trifluoroethyl)-
CAS Number:
805323-40-4
Molecular Formula:
C9H7Cl2F3
Molecular Weight:
243.0531
IUPAC Name:
1-(chloromethyl)-4-(1-chloro-2,2,2-trifluoroethyl)benzene
InChI:
InChI=1S/C9H7Cl2F3/c10-5-6-1-3-7(4-2-6)8(11)9(12,13)14/h1-4,8H,5H2
InChI Key:
FNNJDRRCAFUQRQ-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C(C(F)(F)F)Cl
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.988g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.05g/mol
Monoisotopic Mass:
241.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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