AG000KMR

1234616-13-7 | Cyclobutanecarboxylic acid, 3,3-difluoro-, methyl ester

AG000KMR

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CAS Number	1234616-13-7
Catalog Number	AG000KMR(AGN-PC-0BEGYT)
Chemical Name	Cyclobutanecarboxylic acid, 3,3-difluoro-, methyl ester
IUPAC Name	methyl 3,3-difluorocyclobutane-1-carboxylate
InChI	InChI=1S/C6H8F2O2/c1-10-5(9)4-2-6(7,8)3-4/h4H,2-3H2,1H3
InChI Key	KXPLKLQVORGLGC-UHFFFAOYSA-N
MDL Number	MFCD17015922
Molecular Formula	C6H8F2O2
Molecular Weight	150.1233
SMILES	O=C(C1CC(F)(F)C1)OC
Synonyms	1234616-13-7, Methyl 3,3-difluoro-cyclobutanecarboxylate, methyl 3,3-difluorocyclobutanecarboxylate, methyl 3,3-difluorocyclobutane-1-carboxylate, CYCLOBUTANECARBOXYLIC ACID, 3,3-DIFLUORO-, METHYL ESTER, Methyl 3,3-difluoro-cyclobutanecarboxylate;Methyl 3,3-difluoro-cyclobutanecarboxylate, C6H8F2O2, SCHEMBL1662722, AMCB00033, DTXSID80717785, KXPLKLQVORGLGC-UHFFFAOYSA-N, 2735AD, MFCD17015922, ZINC72193732, AKOS015949230, PB34854, RP08819, KS-0000036A, AM806990, AS-33523, SY033630, ST1110801, CS-0044468, FT-0684770, MFCD17015922 (98%), C-8024, M112310, 3,3-Difluoro-cyclobutanecarboxylic acid methyl ester, Cyclobutanecarboxylicacid,3,3-difluoro-,methylester, J-522105,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.049g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.125g/mol
Monoisotopic Mass	150.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H320-H335
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330
UN Code	\N

Certificate of Analysis

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