AG00EE25

5757-66-4 | 4-bromo-2,6-dimethylbenzenecarbonitrile

AG00EE25

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CAS Number	5757-66-4
Catalog Number	AG00EE25(AGN-PC-0NCOC1)
Chemical Name	4-bromo-2,6-dimethylbenzenecarbonitrile
IUPAC Name	4-bromo-2,6-dimethylbenzonitrile
InChI	InChI=1S/C9H8BrN/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4H,1-2H3
InChI Key	LAYDFDMDUCVHBO-UHFFFAOYSA-N
MDL Number	MFCD01463960
Molecular Formula	C9H8BrN
Molecular Weight	210.0705
SMILES	N#CC1=C(C)C=C(Br)C=C1C
Synonyms	4-bromo-2,6-dimethylbenzonitrile, 5757-66-4, 4-bromo-2,6-dimethylbenzenecarbonitrile, 4-bromo-2,6-dimethyl-benzonitrile, Benzonitrile,4-bromo-2,6-dimethyl-, EN300-39928, AC1Q2HJY, bromodimethylbenzenecarbonitrile, SCHEMBL145353, AMBZ0025, CTK5A7092, KS-00002AYY, DTXSID10448070, LAYDFDMDUCVHBO-UHFFFAOYSA-N, 4-bromo-2,6-dimethylben-zonitrile, ZINC5535168, MFCD01463960, SBB094282, AKOS005073660, Benzonitrile, 4-bromo-2,6-dimethyl-, AC-7721, AN-8729, AS05798, CM12959, FCH1323253, MB01859, MCULE-5653648739, QC-1370, RP12217, SS-2979, BBV-40199091, BC005191, AB0038907, DB-050551, TR-020092, AM20040753, FT-0681263, Y6305, C-4405, 757B664, I01-7971, J-514620, Z600428608, C9H8BrN, CID10910795, A8208, AE-562/12222811,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.074g/mol
Monoisotopic Mass	208.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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