AG00C956

38675-82-0 | 3-(Cyclopropylcarbonyl)benzotrifluoride

AG00C956

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CAS Number	38675-82-0
Catalog Number	AG00C956(AGN-PC-0WNLXY)
Chemical Name	3-(Cyclopropylcarbonyl)benzotrifluoride
IUPAC Name	cyclopropyl-[3-(trifluoromethyl)phenyl]methanone
InChI	InChI=1S/C11H9F3O/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7/h1-3,6-7H,4-5H2
InChI Key	NYNWWUZGUWKJEP-UHFFFAOYSA-N
MDL Number	MFCD03841230
Molecular Formula	C11H9F3O
Molecular Weight	214.1838
SMILES	FC(C1=CC(C(C2CC2)=O)=CC=C1)(F)F
Synonyms	38675-82-0, CYCLOPROPYL 3-TRIFLUOROMETHYLPHENYL KETONE, cyclopropyl[3-(trifluoromethyl)phenyl]methanone, 3-(Cyclopropylcarbonyl)benzotrifluoride, cyclopropyl(3-(trifluoromethyl)phenyl)methanone, cyclopropyl-[3-(trifluoromethyl)phenyl]methanone, SCHEMBL377011, CTK4I0323, DTXSID60642501, NYNWWUZGUWKJEP-UHFFFAOYSA-N, ZINC2514286, MFCD03841230, AKOS012084021, CC-2308, NE42777, V5655, C11H9F3O, CYCLOPROPYL3-TRIFLUOROMETHYLPHENYLKETONE,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.061g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.187g/mol
Monoisotopic Mass	214.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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