AG003Q7C

362527-61-5 | Ethyl 3-bromo-4-cyanobenzoate

AG003Q7C

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CAS Number	362527-61-5
Catalog Number	AG003Q7C(AGN-PC-01V5OK)
Chemical Name	Ethyl 3-bromo-4-cyanobenzoate
IUPAC Name	ethyl 3-bromo-4-cyanobenzoate
InChI	InChI=1S/C10H8BrNO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3
InChI Key	SVBBQSMUEOIQDZ-UHFFFAOYSA-N
MDL Number	MFCD13184275
Molecular Formula	C10H8BrNO2
Molecular Weight	254.0800
SMILES	O=C(OCC)C1=CC=C(C#N)C(Br)=C1
Synonyms	ethyl 3-bromo-4-cyanobenzoate, 362527-61-5, Benzoic acid, 3-bromo-4-cyano-, ethyl ester, AK-43152, 86400-57-9, Ethyl3-bromo-4-cyanobenzoate, KSC216I1N, SCHEMBL2421850, CTK1B6416, KS-00000BQM, DTXSID10593231, SVBBQSMUEOIQDZ-UHFFFAOYSA-N, ethyl 3-bromanyl-4-cyano-benzoate, RD-18, ANW-48975, MFCD13184275, ZINC36377880, AKOS015917643, CM12470, CS-W003847, FCH1380535, GS-3954, TRA0003768, 3-bromo-4-cyanobenzoic acid ethyl ester, ACM362527615, AJ-92649, BR-43152, CJ-18887, SC-27147, SY022570, AB0024486, AX8210581, DB-069342, RT-002507, 4CH-006351, FT-0655432, ST24033193, S-2760, MFCD13184275 (97+%), A823174, J-520855, S01-0266, C10H8BrNO2, ACN-025637, W5769,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.083g/mol
Monoisotopic Mass	252.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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

Lot Number