AG005F2G

77801-22-0 | 3-Fluoro-2-methoxybenzonitrile

AG005F2G

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CAS Number	77801-22-0
Catalog Number	AG005F2G(AGN-PC-02YSZ2)
Chemical Name	3-Fluoro-2-methoxybenzonitrile
IUPAC Name	3-fluoro-2-methoxybenzonitrile
InChI	InChI=1S/C8H6FNO/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4H,1H3
InChI Key	XSWPZUMXEKDICZ-UHFFFAOYSA-N
MDL Number	MFCD06637312
Molecular Formula	C8H6FNO
Molecular Weight	151.1377
SMILES	N#CC1=CC=CC(F)=C1OC
Synonyms	3-fluoro-2-methoxybenzonitrile, 77801-22-0, MFCD06637312, AC1Q45LN, SCHEMBL679158, CTK5E4959, DTXSID00609633, Benzonitrile,3-fluoro-2-methoxy-, XSWPZUMXEKDICZ-UHFFFAOYSA-N, ACT12841, Benzonitrile, 3-fluoro-2-methoxy-, 3-fluoro-2-methoxybenzenecarbonitrile, ANW-48489, BBL103308, FCH835005, SBB086763, STL557118, ZINC21304535, AKOS005258285, AM61669, VZ26783, 3-fluoranyl-2-methoxy-benzenecarbonitrile, AJ-78546, AK-61944, AS-54477, BR-61944, PC302549, SC-23183, AX8086752, DB-016005, ST2405061, TC-137234, FT-0722462, TL80074106, W8426, S-2095, A839201, C8H6FNO,

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	0
Isotope Atom Count	0
Molecular Weight	151.14g/mol
Monoisotopic Mass	151.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H315-H319-H330-H335
Packing Group	Ⅲ
Precautionary statements	P260-P280-P284-P301+P310-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

Lot Number