AG0001R2

1003708-42-6 | Benzonitrile, 3-fluoro-5-formyl-

AG0001R2

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CAS Number	1003708-42-6
Catalog Number	AG0001R2(AGN-PC-078JPT)
Chemical Name	Benzonitrile, 3-fluoro-5-formyl-
IUPAC Name	3-fluoro-5-formylbenzonitrile
InChI	InChI=1S/C8H4FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
InChI Key	MJDZWYNXMPFSJE-UHFFFAOYSA-N
MDL Number	MFCD04974123
Molecular Formula	C8H4FNO
Molecular Weight	149.1219
SMILES	FC1=CC(=CC(=C1)C#N)C=O
Synonyms	3-FLUORO-5-FORMYLBENZONITRILE, 1003708-42-6, 3-Cyano-5-fluorobenzaldehyde, MFCD04974123, PubChem4774, fluoroformylbenzonitrile, SCHEMBL77140, 5-Cyano-3-fluorobenzaldehyde, CTK8B5742, DTXSID30660590, MJDZWYNXMPFSJE-UHFFFAOYSA-N, Benzonitrile, 3-fluoro-5-formyl-, ACT00824, KS-00000HS1, ZINC2541528, ANW-49897, CL8322, AKOS006292954, AB21501, AS05573, CM11914, CS-W018980, LF-0225, LS10266, QC-9005, RP09969, AJ-39191, AK-59883, BR-59883, CJ-09247, SC-49125, AB0034358, DB-011180, TC-138642, 4CH-008619, AM20061042, FT-0684531, ST24028524, X8502, S-6629, I01-6639, J-512520, I01-15306, C8H4FNO, ACN-050412, 3-fluoro-5-formylbenzonitrile, 95% - 1G 1g,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.028g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	149.124g/mol
Monoisotopic Mass	149.028g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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