AG000RWG

126162-96-7 | 4-Ethoxy-2,3-Difluorobenzonitrile

AG000RWG

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CAS Number	126162-96-7
Catalog Number	AG000RWG(AGN-PC-001OJ9)
Chemical Name	4-Ethoxy-2,3-Difluorobenzonitrile
IUPAC Name	4-ethoxy-2,3-difluorobenzonitrile
InChI	InChI=1S/C9H7F2NO/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-4H,2H2,1H3
InChI Key	NVCHMZSUFSRXTF-UHFFFAOYSA-N
MDL Number	MFCD04973770
Molecular Formula	C9H7F2NO
Molecular Weight	183.1548
SMILES	CCOC1=C(F)C(F)=C(C=C1)C#N
Synonyms	4-ethoxy-2,3-difluorobenzonitrile, 126162-96-7, 2,3-Difluoro-4-cyanoPhenetole, 4-ethoxy-2,3-difluorobenzenecarbonitrile, AK-87168, PubChem10706, SCHEMBL9405959, CTK4B4994, DTXSID50560987, NVCHMZSUFSRXTF-UHFFFAOYSA-N, KS-00000EJ3, ZINC2541341, 4-ethoxy-2,3-difluoro benzonitrile, 5050AA, ANW-58169, FCH835044, MFCD04973770, SBB063625, AKOS006280718, 4-CYANO-2,3-DIFLUOROPHENETOLE, Benzonitrile, 4-ethoxy-2,3-difluoro-, TF10210, TRA-0184262, 4-Ethoxy-2,3-difluorobenzonitrile, JRD, AJ-39158, CJ-09236, DS-18288, PC303082, SY023637, 2,3-DIFLUORO-4-CYANOETHOXYBENZENE, 2,3-DIFLUORO-4-ETHOXYBENZONITRILE, AX8065530, DB-030764, TC-146914, FT-0654127, Z-3469, MFCD04973770 (97+%), I01-2352, C9H7F2NO, A1494,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.05g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.158g/mol
Monoisotopic Mass	183.05g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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