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1001096-10-1

1001096-10-1 | Benzene, 2-(chloromethyl)-1-fluoro-3-(trifluoromethyl)-

CAS No: 1001096-10-1 Catalog No: AG0000Z0 MDL No:MFCD13185657

Product Description

Catalog Number:
AG0000Z0
Chemical Name:
Benzene, 2-(chloromethyl)-1-fluoro-3-(trifluoromethyl)-
CAS Number:
1001096-10-1
Molecular Formula:
C8H5ClF4
Molecular Weight:
212.5719
MDL Number:
MFCD13185657
IUPAC Name:
2-(chloromethyl)-1-fluoro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5ClF4/c9-4-5-6(8(11,12)13)2-1-3-7(5)10/h1-3H,4H2
InChI Key:
NVMNTWHOSXLNKZ-UHFFFAOYSA-N
SMILES:
ClCc1c(F)cccc1C(F)(F)F

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.002g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.572g/mol
Monoisotopic Mass:
212.002g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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