AG0038WR

186590-04-5 | 4-Fluoro-3-hydroxybenzonitrile

AG0038WR

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CAS Number	186590-04-5
Catalog Number	AG0038WR(AGN-PC-02ZJ6Y)
Chemical Name	4-Fluoro-3-hydroxybenzonitrile
IUPAC Name	4-fluoro-3-hydroxybenzonitrile
InChI	InChI=1S/C7H4FNO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H
InChI Key	LKTBMKIXEOGAGF-UHFFFAOYSA-N
MDL Number	MFCD08689519
Molecular Formula	C7H4FNO
Molecular Weight	137.1112
SMILES	N#Cc1ccc(c(c1)O)F
Synonyms	4-Fluoro-3-hydroxybenzonitrile, 186590-04-5, 2-Fluoro-5-cyanophenol, 5-CYANO-2-FLUOROPHENOL, 4-Fluoro-3-hydroxy-benzonitrile, Benzonitrile,4-fluoro-3-hydroxy-, Benzonitrile, 4-fluoro-3-hydroxy-, AK-33858, ACMC-209eog, KSC497I3D, SCHEMBL540294, CTK3J7431, DTXSID30609747, LKTBMKIXEOGAGF-UHFFFAOYSA-N, KS-00000L7L, ZX-AP005232, 4-fluoro-3-hydroxybenzenecarbonitrile, ANW-23294, FCH921626, MFCD08689519, PC3631, SBB085961, WT1915, ZINC12471672, AKOS005257671, AM83045, AS05849, CM10881, CS-W005781, RP20327, RTR-008620, VZ29022, AC-27965, AJ-62329, BR-33858, CJ-14088, DS-12577, AB0030062, AB1009623, AX8042558, ST2418357, TR-008620, 4CH-014081, FT-0762061, X2250, J3.557.237F, 186590-04-5 4-fluoro-3-hydroxybenzonitrile, A21172, B-7567, J-515368, (+)-Styrene glycol; (S)-(+)-Phenylethylene glycol, I01-11641, C7H4FNO,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.028g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	137.113g/mol
Monoisotopic Mass	137.028g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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