AG000LSB

124276-83-1 | Cyclopropanecarbonitrile, 1-(3-bromophenyl)-

AG000LSB

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CAS Number	124276-83-1
Catalog Number	AG000LSB(AGN-PC-02R8WR)
Chemical Name	Cyclopropanecarbonitrile, 1-(3-bromophenyl)-
IUPAC Name	1-(3-bromophenyl)cyclopropane-1-carbonitrile
InChI	InChI=1S/C10H8BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChI Key	VHNBUFCWKWBTIZ-UHFFFAOYSA-N
MDL Number	MFCD07374414
Molecular Formula	C10H8BrN
Molecular Weight	222.0812
SMILES	N#CC1(C2=CC=CC(Br)=C2)CC1
Synonyms	1-(3-Bromophenyl)cyclopropanecarbonitrile, 124276-83-1, 1-(3-BROMOPHENYL)CYCLOPROPANE-1-CARBONITRILE, 1-(3-BROMO-PHENYL)-CYCLOPROPANECARBONITRILE, Cyclopropanecarbonitrile, 1-(3-bromophenyl)-, ACMC-209arq, SCHEMBL3206919, CTK0C2641, DTXSID00601778, VHNBUFCWKWBTIZ-UHFFFAOYSA-N, BCP26443, KS-000005EX, ANW-18228, MFCD07374414, ZINC37382602, AKOS009375379, AB39402, FCH4617676, RTR-035044, BBV-5637179, AJ-93844, AK-89235, OR307750, SY046145, TS-03177, 1-(3-bromo-phenyl)-1-cyclopropane-nitril, 1-(3-Bromo-phenyl)cyclopropanecarbonitrile, AX8024324, DB-062234, ST2414981, TR-035044, CS-0030392, FT-0718239, Z8776, MFCD07374414 (95%), B-2732, EN300-191619, 1-(3-Bromophenyl)cyclopropanecarbonitrile, AldrichCPR, Z1993522754, C10H8BrN, ACN-046644,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.085g/mol
Monoisotopic Mass	220.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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