AG00HBFV

1093750-93-6 | 3-(Trifluoromethyl)cyclobutanecarboxylic Acid

AG00HBFV

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CAS Number	1093750-93-6
Catalog Number	AG00HBFV(AGN-PC-0WBT5L)
Chemical Name	3-(Trifluoromethyl)cyclobutanecarboxylic Acid
IUPAC Name	3-(trifluoromethyl)cyclobutane-1-carboxylic acid
InChI	InChI=1S/C6H7F3O2/c7-6(8,9)4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11)
InChI Key	ZSULKAPJHICPKB-UHFFFAOYSA-N
MDL Number	MFCD15526994
Molecular Formula	C6H7F3O2
Molecular Weight	168.1138
SMILES	C(F)(F)(F)C1CC(C1)C(=O)O
Synonyms	1093750-93-6, 3-(TRIFLUOROMETHYL)CYCLOBUTANECARBOXYLIC ACID, 3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXYLIC ACID, cis-3-(Trifluoromethyl)cyclobutane-1-carboxylic acid, trans-3-(Trifluoromethyl)cyclobutane-1-carboxylic acid, 123812-82-8, 123812-83-9, 3-TRIFLUOROMETHYL-CYCLOBUTANECARBOXYLIC ACID, SCHEMBL4264726, KS-000004VQ, BBL103170, MFCD15526994, STL556980, ZINC85344443, AKOS016344477, FCH1120283, PB31761, SB22519, SB22520, AK170417, AS-51055, SC-66884, BB 0261614, CS-0051644, CS-0057116, CS-0057117, Q-4054,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.115g/mol
Monoisotopic Mass	168.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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