AG00385L

219873-06-0 | 4-Cyano-2-fluorobenzyl alcohol

AG00385L

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CAS Number	219873-06-0
Catalog Number	AG00385L(AGN-PC-009YGE)
Chemical Name	4-Cyano-2-fluorobenzyl alcohol
IUPAC Name	3-fluoro-4-(hydroxymethyl)benzonitrile
InChI	InChI=1S/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
InChI Key	YGAURRAHPYQHDC-UHFFFAOYSA-N
MDL Number	MFCD09037779
Molecular Formula	C8H6FNO
Molecular Weight	151.1377
SMILES	C(#N)C1=CC(=C(CO)C=C1)F
Synonyms	3-fluoro-4-(hydroxymethyl)benzonitrile, 219873-06-0, 4-cyano-2-fluorobenzyl alcohol, 3-Fluoro-4-(hydroxymethyl)-benzonitrile, Benzonitrile, 3-fluoro-4-(hydroxymethyl)-, PubChem11157, SCHEMBL1162443, CTK1A1217, KS-00000ZRN, DTXSID90467168, YGAURRAHPYQHDC-UHFFFAOYSA-N, ACT12503, 3-Fluoro-4-hydroxymethylbenzonitrile, 1128AB, ANW-72561, MFCD09037779, ZINC34582528, AKOS009345801, CF-1136, CS-W001260, RP21444, AC-26131, AJ-89507, AN-29549, AS-46295, SY116565, TC-161306, FT-0654188, ST24042161, 3-Fluoro-4-(hydroxymethyl)benzonitrile, 97%, MFCD09037779 (97%), A21174, 873C060, I01-6600, J-512471, C8H6FNO, ACN-S002021, CID11480543, Benzonitrile, 3-fluoro-4-(hydroxymethyl)- (9CI),

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	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number