AG0036PU

693232-06-3 | 2-bromo-3-hydroxybenzonitrile

AG0036PU

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CAS Number	693232-06-3
Catalog Number	AG0036PU(AGN-PC-03OU8D)
Chemical Name	2-bromo-3-hydroxybenzonitrile
IUPAC Name	2-bromo-3-hydroxybenzonitrile
InChI	InChI=1S/C7H4BrNO/c8-7-5(4-9)2-1-3-6(7)10/h1-3,10H
InChI Key	DGKTUNIJIIPACU-UHFFFAOYSA-N
MDL Number	MFCD09266204
Molecular Formula	C7H4BrNO
Molecular Weight	198.0168
SMILES	OC1=CC=CC(C#N)=C1Br
Synonyms	2-Bromo-3-hydroxybenzonitrile, 693232-06-3, 2-Bromo-3-hydroxybenzonitrle, 2-BROMO-3-CYANOPHENOL, 2-Bromo-3-hydroxy-benzonitrile, Benzonitrile, 2-bromo-3-hydroxy-, AK-64490, PubChem23204, SCHEMBL1663065, CTK8B7202, KS-00000OQW, DTXSID90625529, 0692AC, ANW-56699, FCH868184, MFCD09266204, ZINC75629378, AKOS006331435, AS05802, CM12975, MB07308, BBV-38304850, BC004891, DS-15581, SC-47829, AJ-121766, AX8212729, DB-074154, ST2404194, TC-145444, FT-0704797, Z-5293, C7H4BrNO, 22061-78-5,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.948g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.019g/mol
Monoisotopic Mass	196.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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