AG002ME2

2315-86-8 | Benzonitrile, 3-bromo-4-hydroxy-

AG002ME2

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CAS Number	2315-86-8
Catalog Number	AG002ME2(AGN-PC-0JLPAQ)
Chemical Name	Benzonitrile, 3-bromo-4-hydroxy-
EC Number	219-022-9
IUPAC Name	3-bromo-4-hydroxybenzonitrile
InChI	InChI=1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
InChI Key	HLHNOIAOWQFNGW-UHFFFAOYSA-N
MDL Number	MFCD00143096
Molecular Formula	C7H4BrNO
Molecular Weight	198.0168
SMILES	BrC=1C=C(C#N)C=CC1O
Synonyms	3-Bromo-4-hydroxybenzonitrile, 2315-86-8, 2-Bromo-4-cyanophenol, Benzonitrile, 3-bromo-4-hydroxy-, 3-Bromo-4-hydroxy-benzonitrile, 3-bromo-4-hydroxybenzenecarbonitrile, TIMTEC-BB SBB005818, 2 - Bromo - 4 - cyanophenol, LABOTEST-BB LT01143437, MFCD00143096, FR-2151, AK-34248, W-107421, EINECS 219-022-9, PubChem3780, Intermediates-ZCF02624, ACMC-209g1r, AC1L2OK3, AC1Q25MI, AC1Q78SQ, SCHEMBL91352, 3-bromo-4-hydroxybenzonirile, KSC497I8B, 3-Bromo-4-hydroxy benzonitrile, Jsp004678, CTK3J7480, HLHNOIAOWQFNGW-UHFFFAOYSA-, DTXSID90177735, HLHNOIAOWQFNGW-UHFFFAOYSA-N, ZINC157220, 3-bromo-4-hydroxybenzonitrile,99%, ACN-S003593, ACT12460, KS-00000EI9, ZX-AT007818, ANW-25069, CB-128, OR1074, SBB005818, 3-Bromo-4-hydroxybenzonitrile, 97%, 3-bromo-4-hydroxybenzonitrile, 98+%, AKOS015834348, ACM2315868, AS03702, CM12978, CS-W007522, FCH1115991, FS-3040, MCULE-8292819805, RTR-032773, TF10212, TRA0024506, VZ23964, OTAVA-BB 7020680992, AC-26110, AJ-14951, BBV-39687409, BC002585, BR-34248, CC-09481, CJ-01617, SC-02685, SY018476, ZB006606, AB0005830, AB1004106, AX8010318, DB-030905, TR-032773, AM20060560, FT-0615162, ST24032599, ST50827285, W4699, A-3599, MFCD00143096 (97+%), C-09155, I01-5347, InChI=1/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H, C7H4BrNO, C7-H4-Br-N-O, CID75341, AR-1D9501, ZINC00157220, A1604, B2037, 3-Bromo-4-hydroxybenzonitrile, 98% - 25G 25g, 23723-36-6,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number