AG00GU2R

862574-87-6 | 1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile

AG00GU2R

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CAS Number	862574-87-6
Catalog Number	AG00GU2R(AGN-PC-0BU2UB)
Chemical Name	1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
IUPAC Name	1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
InChI	InChI=1S/C11H7F2NO2/c12-11(13)15-8-2-1-7(5-9(8)16-11)10(6-14)3-4-10/h1-2,5H,3-4H2
InChI Key	RGKFSYDEMAFDQP-UHFFFAOYSA-N
MDL Number	MFCD14155913
Molecular Formula	C11H7F2NO2
Molecular Weight	223.1756
SMILES	N#CC1(C2=CC=C(OC(F)(F)O3)C3=C2)CC1
Synonyms	862574-87-6, 1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)CYCLOPROPANECARBONITRILE, 1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile, AK158499, Cyclopropanecarbonitrile, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-, SCHEMBL350025, C11H7F2NO2, RGKFSYDEMAFDQP-UHFFFAOYSA-N, BCP14649, CS-M2544, KS-000007HB, 3003AH, MFCD14155913, ZINC95628954, AKOS015968326, DS-9361, PB16563, SY041920, AJ-133091, AX8292269, ST24036993, MFCD14155913 (95%), Q-4523, 1-(2,2-Difluorobenzodioxol-5-yl)cyclopropanecarbonitrile, (2,2-difluoro-1,3-benzodioxol-5-yl)-cyclopropanecarbonitrile, 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonitrile, Cyclopropanecarbonitrile,1-(2,2-difluoro-1,3-benzodioxol-5-yl)-, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPANECARBONITRILE,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.044g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.179g/mol
Monoisotopic Mass	223.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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