AG00C1UN

227609-85-0 | Benzonitrile, 2-fluoro-5-(hydroxymethyl)- (9CI)

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CAS Number	227609-85-0
Catalog Number	AG00C1UN(AGN-PC-0KKVSO)
Chemical Name	Benzonitrile, 2-fluoro-5-(hydroxymethyl)- (9CI)
IUPAC Name	2-fluoro-5-(hydroxymethyl)benzonitrile
InChI	InChI=1S/C8H6FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,11H,5H2
InChI Key	OOVBMNHJMJKTRH-UHFFFAOYSA-N
MDL Number	MFCD03094340
Molecular Formula	C8H6FNO
Molecular Weight	151.1377
SMILES	OCC1=CC(C#N)=C(F)C=C1
Synonyms	2-fluoro-5-(hydroxymethyl)benzonitrile, 227609-85-0, 3-Cyano-4-fluorobenzyl alcohol, 2-Fluoro-5-hydroxymethyl-benzonitrile, AC1MCNOK, fluorohydroxymethylbenzonitrile, Benzonitrile, 2-fluoro-5-(hydroxymethyl)- (9CI), SCHEMBL2657523, CTK8A2775, DTXSID70378783, OOVBMNHJMJKTRH-UHFFFAOYSA-N, KS-000022YJ, ZINC2243242, Fluoro-5-(hydroxymethyl)benzonitrile, 1409AB, ANW-74003, MFCD03094340, RW3546, SBB086759, AKOS005259297, BF-0734, MCULE-4320986993, QC-1870, RP10002, AJ-34264, AN-29490, SC-32157, SC-88540, AB0095169, AB1005898, Benzonitrile, 2-fluoro-5-(hydroxymethyl)-, DB-031108, TC-063159, A4851, CS-0060348, FT-0682914, 2-fluoro-5-(hydroxymethyl)benzenecarbonitrile, Y-9115, 094C340, I01-8556, J-509431, I01-14927, null, C8H6FNO, Benzonitrile,2-fluoro-5- -, ZINC02243242, CID2773934,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.14g/mol
Monoisotopic Mass	151.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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