AG0033UR

122665-97-8 | 4,4-Difluorocyclohexanecarboxylic acid

AG0033UR

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CAS Number	122665-97-8
Catalog Number	AG0033UR(AGN-PC-0KKZCU)
Chemical Name	4,4-Difluorocyclohexanecarboxylic acid
IUPAC Name	4,4-difluorocyclohexane-1-carboxylic acid
InChI	InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)
InChI Key	HYIUDFLDFSIXTR-UHFFFAOYSA-N
MDL Number	MFCD03788493
Molecular Formula	C7H10F2O2
Molecular Weight	164.1499
SMILES	O=C(O)C1CCC(F)(F)CC1
Synonyms	4,4-Difluorocyclohexanecarboxylic acid, 122665-97-8, 4,4-difluorocyclohexane-1-carboxylic Acid, cyclohexanecarboxylic acid, 4,4-difluoro-, 4,4-Difluorocyclohexylcarboxylic acid, 4,4-difluorocyclohexanoic acid, 4, 4 -Difluoro-cyclohexane carboxylic acid, C7H10F2O2, MFCD03788493, 4,4-difluorocyclohexane carboxylic acid, 4,4-DifluorocyclohexanoicAcid, 4,4-Difluorocyclohexanecarboxylicacid, AC1MCUUL, PubChem15915, ACMC-209aln, SCHEMBL18199, KSC174K3T, difluorocyclohexanecarboxylicacid, Jsp001523, CTK0H4539, DTXSID00381285, HYIUDFLDFSIXTR-UHFFFAOYSA-N, BCP21700, CS-D1695, KS-000006OG, SYNQUEST 2221-3-44, ZINC2510718, AC-338, ANW-18009, BBL100219, SBB053457, STL553792, AKOS005063373, CD-1635, EF10108, MCULE-1527222921, PB26085, RP10300, RTR-003617, TRA0011372, 4,4-difluoro-cyclohexanecarboxylic acid, 4,4-difluoro-cyclohexane carboxylic acid, AJ-36477, AK-25331, AN-15941, BC200238, BR-25331, SC-19912, SY017995, 4, 4-difluoro-cyclohexane carboxylic acid, 4,4 -Difluoro-cyclohexane carboxylic acid, AB0028193, DB-031601, TR-003617, 4,4-Difluorocyclohexanecarboxylic acid, 97%, 4CH-006188, AM20070528, D4330, FT-0084432, FT-0617049, ST24032677, X0242, A-2863, MFCD03788493 (97+%), 665D978, H-20299, 3S100476, 3S210819, I04-0506, J-004842, J-514001, Cefoselis sulfate, 4,4-Difluoro-cyclohexanecarboxylic, ACN-032441, CID2779136, CS-T-18340, A2584, C2580, 4,4-Difluorocyclohexanecarboxylic acid, 98% - 1G 1g, 122841-12-7,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.065g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.152g/mol
Monoisotopic Mass	164.065g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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