AG0003MT

101048-76-4 | Benzonitrile, 2-fluoro-4-formyl-

AG0003MT

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CAS Number	101048-76-4
Catalog Number	AG0003MT(AGN-PC-004KY2)
Chemical Name	Benzonitrile, 2-fluoro-4-formyl-
IUPAC Name	2-fluoro-4-formylbenzonitrile
InChI	InChI=1S/C8H4FNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H
InChI Key	MYUPCEIJNBAAFL-UHFFFAOYSA-N
MDL Number	MFCD06738989
Molecular Formula	C8H4FNO
Molecular Weight	149.1219
SMILES	N#CC1=CC=C(C=O)C=C1F
Synonyms	2-Fluoro-4-formylbenzonitrile, 101048-76-4, 4-Cyano-3-fluorobenzaldehyde, 2-fluoro-4-formyl-benzonitrile, 3-Fluoro-4-Cyanobenzaldehyde, 2-Fluoro-4-formylbenzenecarbonitrile, BENZONITRILE, 2-FLUORO-4-FORMYL-, ACMC-209v0c, fluoroformylbenzenecarbonitrile, SCHEMBL923510, CTK3J9498, Benzonitrile,2-fluoro-4-formyl-, DTXSID10458977, MYUPCEIJNBAAFL-UHFFFAOYSA-N, ACT06597, KS-00000JY6, 4-Cyano-3-fluorobenzaldehyde, 96%, ANW-44458, CL8921, MFCD06738989, SBB055304, ZINC12336555, AKOS005072204, AB28328, AM84211, DB-0608, RP09970, RTR-000310, AC-28645, AJ-60968, AK-30947, SC-02224, SY026547, AB0036320, ST2404408, TR-000310, 4CH-018374, CS-0034821, F1112, FT-0082870, FT-0651250, Y3515, MFCD06738989 (95%), A19520, Q-8520, J-509398, I01-15154, C8H4FNO, ACN-044876, CID11217339, Benzonitrile, 2-fluoro-4-formyl- (9CI),

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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