AG0013BL

1374657-08-5 | 2-(3,3-difluorocyclobutyl)acetaldehyde

AG0013BL

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CAS Number	1374657-08-5
Catalog Number	AG0013BL(AGN-PC-0WD7VO)
Chemical Name	2-(3,3-difluorocyclobutyl)acetaldehyde
IUPAC Name	2-(3,3-difluorocyclobutyl)acetaldehyde
InChI	InChI=1S/C6H8F2O/c7-6(8)3-5(4-6)1-2-9/h2,5H,1,3-4H2
InChI Key	CRKBNRQSAKCDPE-UHFFFAOYSA-N
MDL Number	MFCD24856435
Molecular Formula	C6H8F2O
Molecular Weight	134.1239
SMILES	O=CCC1CC(F)(F)C1
Synonyms	2-(3,3-difluorocyclobutyl)acetaldehyde, 1374657-08-5, SCHEMBL15922574, KS-000005PP, MFCD24856435, AKOS026717003, ZINC217626769, Cyclobutaneacetaldehyde, 3,3-difluoro-, SB13599, AS-51969, CS-0052296, F2147-4313,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.054g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	134.126g/mol
Monoisotopic Mass	134.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 1989

Certificate of Analysis

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