AG00EEDD

57381-41-6 | 2,5-Dibromobenzonitrile

AG00EEDD

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CAS Number	57381-41-6
Catalog Number	AG00EEDD(AGN-PC-0NDU5B)
Chemical Name	2,5-Dibromobenzonitrile
IUPAC Name	2,5-dibromobenzonitrile
InChI	InChI=1S/C7H3Br2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChI Key	ATOKQLGYVAAFEC-UHFFFAOYSA-N
MDL Number	MFCD00672994
Molecular Formula	C7H3Br2N
Molecular Weight	260.9134
SMILES	N#CC1=CC(Br)=CC=C1Br
Synonyms	2,5-dibromobenzonitrile, 57381-41-6, Benzonitrile, 2,5-dibromo-, SCHEMBL1343188, CTK1F2192, DTXSID80450569, ZINC2567859, MFCD00672994, AKOS022274201, AS03726, AK194383, AB0042806, Z0699, Q-7037, C7H3Br2N, CID10978230,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.861g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.916g/mol
Monoisotopic Mass	258.863g/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-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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