AG002DVU

189680-06-6 | Benzonitrile, 2-bromo-5-hydroxy-

AG002DVU

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CAS Number	189680-06-6
Catalog Number	AG002DVU(AGN-PC-00OVR5)
Chemical Name	Benzonitrile, 2-bromo-5-hydroxy-
IUPAC Name	2-bromo-5-hydroxybenzonitrile
InChI	InChI=1S/C7H4BrNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H
InChI Key	IXJNUEMHAJZKFW-UHFFFAOYSA-N
MDL Number	MFCD08061922
Molecular Formula	C7H4BrNO
Molecular Weight	198.0168
SMILES	BrC1=C(C#N)C=C(C=C1)O
Synonyms	2-BROMO-5-HYDROXYBENZONITRILE, 189680-06-6, 4-BROMO-3-CYANOPHENOL, 2-bromo-5-hydroxy-benzonitrile, Benzonitrile, 2-bromo-5-hydroxy-, AK-24366, PubChem9770, 2-Bromo-5-hydroxybenzonitrle, KSC497I3L, SCHEMBL177459, CTK3J7435, DTXSID90571471, IXJNUEMHAJZKFW-UHFFFAOYSA-N, ACT12459, ANW-51806, BBL103703, CL8152, DT1323, FCH858211, MFCD08061922, STL557513, ZINC34529554, AKOS005257266, AM84101, AS04431, CB-2117, CM12976, CS-W019014, FS-2757, MB05213, RP25573, RTR-008790, AC-26109, ACM189680066, AJ-89119, AN-30461, BC003479, BR-24366, CJ-18447, SC-95852, SY031508, AB0023089, AX8071957, DB-010969, ST2416591, TR-008790, 4CH-006055, FT-0081619, FT-0612078, W4082, MFCD08061922 (95%), J-508382, I14-35940, C7H4BrNO, 2-Bromo-5-hydroxy benzonitrile, A4189, C2118, S-3608,

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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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