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1453086-94-6 | Benzene, 1-(chloromethyl)-4-(1,1-difluoroethyl)-
CAS No: 1453086-94-6 Catalog No: AG001KS2 MDL No:
Product Description
Catalog Number:
AG001KS2
Chemical Name:
Benzene, 1-(chloromethyl)-4-(1,1-difluoroethyl)-
CAS Number:
1453086-94-6
Molecular Formula:
C9H9ClF2
Molecular Weight:
190.6176
IUPAC Name:
1-(chloromethyl)-4-(1,1-difluoroethyl)benzene
InChI:
InChI=1S/C9H9ClF2/c1-9(11,12)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
InChI Key:
DQPHNLALJMEEKM-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C(F)(F)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.618g/mol
Monoisotopic Mass:
190.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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