AG001AYW

1394129-94-2 | Cyclopentanecarboxylic acid, 3,3-difluoro-, methyl ester

AG001AYW

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CAS Number	1394129-94-2
Catalog Number	AG001AYW(AGN-PC-0JK1HZ)
Chemical Name	Cyclopentanecarboxylic acid, 3,3-difluoro-, methyl ester
IUPAC Name	methyl 3,3-difluorocyclopentane-1-carboxylate
InChI	InChI=1S/C7H10F2O2/c1-11-6(10)5-2-3-7(8,9)4-5/h5H,2-4H2,1H3
InChI Key	ADUIVPFOAZXVOE-UHFFFAOYSA-N
MDL Number	MFCD22572330
Molecular Formula	C7H10F2O2
Molecular Weight	164.1499
SMILES	FC1(CC(CC1)C(=O)OC)F
Synonyms	1394129-94-2, METHYL 3,3-DIFLUOROCYCLOPENTANECARBOXYLATE, methyl 3,3-difluorocyclopentane-1-carboxylate, SCHEMBL16048822, DTXSID30857266, ADUIVPFOAZXVOE-UHFFFAOYSA-N, KS-000007IA, MFCD22572330, AKOS025146662, PB28917, methyl3,3-difluorocyclopentanecarboxylate, AS-41266, SC-68617, AB0050289, CS-0049140, Q-2756, Cyclopentanecarboxylic acid, 3,3-difluoro-, methyl ester, Z1949076243, (R)-Methyl 3,3-difluorocyclopentanecarboxylate, (S)-methyl 3,3-difluorocyclopentanecarboxylate, 1408057-37-3, 1408002-87-8,

Complexity	168
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	0
Isotope Atom Count	0
Molecular Weight	164.152g/mol
Monoisotopic Mass	164.065g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
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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