AG00BI1F

211943-27-0 | 2-Fluoro-3-iodo-benzonitrile

AG00BI1F

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CAS Number	211943-27-0
Catalog Number	AG00BI1F(AGN-PC-0WD31N)
Chemical Name	2-Fluoro-3-iodo-benzonitrile
IUPAC Name	2-fluoro-3-iodobenzonitrile
InChI	InChI=1S/C7H3FIN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChI Key	AFNXALOPDDVLMA-UHFFFAOYSA-N
MDL Number	MFCD18396938
Molecular Formula	C7H3FIN
Molecular Weight	247.0083
SMILES	N#CC1=CC=CC(I)=C1F
Synonyms	2-Fluoro-3-iodobenzonitrile, 211943-27-0, 2-Fluoro-3-iodo-benzonitrile, SCHEMBL1222545, DTXSID10728869, AFNXALOPDDVLMA-UHFFFAOYSA-N, MFCD18396938, ZINC95080195, AKOS022172533, AS05850, CM13072, FCH1371804, QC-8621, AS-33157, AB0097384, AJ-132046, AX8259264, Z-9214,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.929g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.011g/mol
Monoisotopic Mass	246.929g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number