AG000S2G

1261861-91-9 | Benzonitrile, 2-fluoro-3-(hydroxymethyl)-

AG000S2G

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CAS Number	1261861-91-9
Catalog Number	AG000S2G(AGN-PC-0WAG8N)
Chemical Name	Benzonitrile, 2-fluoro-3-(hydroxymethyl)-
IUPAC Name	2-fluoro-3-(hydroxymethyl)benzonitrile
InChI	InChI=1S/C8H6FNO/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3,11H,5H2
InChI Key	HZGKGFUFZFPGSI-UHFFFAOYSA-N
MDL Number	MFCD18394036
Molecular Formula	C8H6FNO
Molecular Weight	151.1377
SMILES	N#CC1=CC=CC(CO)=C1F
Synonyms	2-fluoro-3-(hydroxymethyl)Benzonitrile, 1261861-91-9, 2-Fluoro-3-hydroxymethyl-benzonitrile, 3-Cyano-2-fluorobenzyl alcohol, SCHEMBL15018243, KS-00000SH0, 1712AJ, MFCD18394036, ZINC95917804, DS-9383, AK158635, AJ-135369, Benzonitrile, 2-fluoro-3-(hydroxymethyl)-, DB-021097, FT-0768906, C8H6FNO, (3-(isopropoxymethyl)phenyl)methanamine, 1016717-61-5,

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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