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312-94-7

312-94-7 | 2-(Trifluoromethyl)benzoyl chloride

CAS No: 312-94-7 Catalog No: AG003F5M MDL No:MFCD00000667

Product Description

Catalog Number:
AG003F5M
Chemical Name:
2-(Trifluoromethyl)benzoyl chloride
CAS Number:
312-94-7
Molecular Formula:
C8H4ClF3O
Molecular Weight:
208.5650
MDL Number:
MFCD00000667
IUPAC Name:
2-(trifluoromethyl)benzoyl chloride
InChI:
InChI=1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H
InChI Key:
MXIUWSYTQJLIKE-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccccc1C(F)(F)F
EC Number:
206-233-6
UNII:
D01D0B64EQ
NSC Number:
88290

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.564g/mol
Monoisotopic Mass:
207.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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