AG003GPE

57381-37-0 | 2-Bromo-5-chlorobenzonitrile

AG003GPE

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CAS Number	57381-37-0
Catalog Number	AG003GPE(AGN-PC-0N2ODV)
Chemical Name	2-Bromo-5-chlorobenzonitrile
IUPAC Name	2-bromo-5-chlorobenzonitrile
InChI	InChI=1S/C7H3BrClN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChI Key	CTSHRMBLMKPDAG-UHFFFAOYSA-N
MDL Number	MFCD08445660
Molecular Formula	C7H3BrClN
Molecular Weight	216.4624
SMILES	N#CC1=CC(Cl)=CC=C1Br
Synonyms	2-Bromo-5-chlorobenzonitrile, 57381-37-0, 5-chloro-2-bromobenzonitrile, 2-bromo-5-chloro-benzonitrile, Benzonitrile, 2-bromo-5-chloro-, AK-35700, KSC268C8J, SCHEMBL206187, CTK1G8184, DTXSID10438219, CTSHRMBLMKPDAG-UHFFFAOYSA-N, BCP26826, ZX-AT006892, ANW-48886, DT1818, MFCD08445660, OR6705, SC5052, ZINC15443805, AKOS013152962, AB45293, AM83146, AN-1598, AS02373, CM12948, CS-W005462, FCH1327100, PS-7928, RP26997, TRA0051951, 2-Bromo-5-chlorobenzonitrile, AldrichCPR, AC-28601, AJ-67515, BBV-40202939, BC005063, BC679473, BR-35700, CJ-15146, SC-48383, SY020539, AB0030549, AX8040975, DB-020656, ST2409682, TC-062370, TC-137631, 4CH-002958, FT-0647196, X2753, A21020, C-6139, MFCD08445660 (97+%), J-508345, I01-12615, C7H3BrClN, ACN-050410, CID10330944,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.914g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.462g/mol
Monoisotopic Mass	214.914g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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