AG002TI4

265108-36-9 | Cyclohexanecarboxald​ehyde, 4,​4-​difluoro-

AG002TI4

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CAS Number	265108-36-9
Catalog Number	AG002TI4(AGN-PC-007G0H)
Chemical Name	Cyclohexanecarboxald​ehyde, 4,​4-​difluoro-
IUPAC Name	4,4-difluorocyclohexane-1-carbaldehyde
InChI	InChI=1S/C7H10F2O/c8-7(9)3-1-6(5-10)2-4-7/h5-6H,1-4H2
InChI Key	DNSDOTKSZMHDOR-UHFFFAOYSA-N
MDL Number	MFCD09263468
Molecular Formula	C7H10F2O
Molecular Weight	148.1505
SMILES	C(=O)C1CCC(CC1)(F)F
Synonyms	265108-36-9, 4,4-DIFLUOROCYCLOHEXANECARBALDEHYDE, 4,4-Difluoro Cyclohexanecarboxaldehyde, 4,4-difluorocyclohexane-1-carbaldehyde, 4,4-DifluoroCyclohexanecarboxaldehyde, C7H10F2O, CYCLOHEXANECARBOXALDEHYDE, 4,4-DIFLUORO-, MFCD09263468, 4,4-difluoro-cyclohexanecarboxaldehyde, PubChem2084, SCHEMBL697502, CTK8B7013, KS-00000FYV, DTXSID20463254, DNSDOTKSZMHDOR-UHFFFAOYSA-N, 4,4-Difluorocyclohexanecarboaldehyde, 2377AB, ANW-55936, BBL101607, STL555403, ZINC39061711, AKOS005259922, AB50192, 4,4-Difluorocyclohexane-1-carboxaldehyde, AJ-97820, AK-49628, CJ-19695, DS-15108, SC-03010, 4,4-DIFLUORO-CYCLOHEXANECARBALDEHYDE, DB-067639, ST2417872, TC-144681, 4CH-016042, FT-0683966, Z-2419, I14-29638, CID11355562, Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI),

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.07g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.153g/mol
Monoisotopic Mass	148.07g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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