AG002LP4

2296-23-3 | Benzonitrile, 4-hydroxy-3-iodo-

AG002LP4

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CAS Number	2296-23-3
Catalog Number	AG002LP4(AGN-PC-0NDGCH)
Chemical Name	Benzonitrile, 4-hydroxy-3-iodo-
IUPAC Name	4-hydroxy-3-iodobenzonitrile
InChI	InChI=1S/C7H4INO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
InChI Key	XAONDNGLTPLRKO-UHFFFAOYSA-N
MDL Number	MFCD11054826
Molecular Formula	C7H4INO
Molecular Weight	245.0172
SMILES	N#CC1=CC=C(O)C(I)=C1
Synonyms	4-HYDROXY-3-IODOBENZONITRILE, 2296-23-3, 3-IODO-4-HYDROXYBENZONITRILE, Benzonitrile, 4-hydroxy-3-iodo-, 4-hydroxy-3-iodo-benzonitrile, 4-cyano-2-iodophenol, SCHEMBL178073, CTK4F0571, 4-Cyano-2-iodophenol (2IPCN), DTXSID10449744, XAONDNGLTPLRKO-UHFFFAOYSA-N, BDBM217400, MFCD11054826, ZINC44154171, AKOS025404381, ACM2296233, FCH1402221, MB09222, OR46135, AS-19631, FT-0709762, EN300-195995, A1-07415, Z1982493920, CID10955815, 4-hydroxy-3-iodobenzonitrile, 95% - 1G 1g,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.934g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.019g/mol
Monoisotopic Mass	244.934g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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