AG00BZ0Q

40718-08-9 | 3,5-Dibromo-2-hydroxybenzonitrile

AG00BZ0Q

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CAS Number	40718-08-9
Catalog Number	AG00BZ0Q(AGN-PC-0WCZFF)
Chemical Name	3,5-Dibromo-2-hydroxybenzonitrile
IUPAC Name	3,5-dibromo-2-hydroxybenzonitrile
InChI	InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H
InChI Key	IZOWHVRXNOVUGY-UHFFFAOYSA-N
MDL Number	MFCD00662354
Molecular Formula	C7H3Br2NO
Molecular Weight	276.9128
SMILES	BrC=1C(=C(C#N)C=C(C1)Br)O
Synonyms	3,5-dibromo-2-hydroxybenzonitrile, 40718-08-9, AC1MD23Z, AC1Q780X, SCHEMBL1423613, CTK4I3626, DTXSID10382041, IZOWHVRXNOVUGY-UHFFFAOYSA-N, ZINC163373, ZX-AT027451, MFCD00662354, AKOS022176074, FCH1322209, ACM40718089, AJ-16026, AS-43464, ZB007981, AX8082403, FT-0693403, ZINC00163373, CID2782352,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.856g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.915g/mol
Monoisotopic Mass	274.858g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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