AG003MPD

89003-95-2 | 4-Bromo-3-formylbenzonitrile

AG003MPD

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CAS Number	89003-95-2
Catalog Number	AG003MPD(AGN-PC-03TGVV)
Chemical Name	4-Bromo-3-formylbenzonitrile
IUPAC Name	4-bromo-3-formylbenzonitrile
InChI	InChI=1S/C8H4BrNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
InChI Key	BFXZVSRDZFPABM-UHFFFAOYSA-N
MDL Number	MFCD11858309
Molecular Formula	C8H4BrNO
Molecular Weight	210.0275
SMILES	BrC1=C(C=O)C=C(C=C1)C#N
Synonyms	4-Bromo-3-formylbenzonitrile, 89003-95-2, 5-Cyano-2-bromobenzaldehyde, 2-Bromo-5-cyanobenzaldehyde, 4-BROMO-3-FORMYL-BENZONITRILE, Benzonitrile, 4-bromo-3-formyl-, AK-68542, 3-Formyl-4-bromobenzonitrile, SCHEMBL1351408, CTK8B7525, DTXSID30626636, BFXZVSRDZFPABM-UHFFFAOYSA-N, 4696AC, ANW-57573, MFCD11858309, ZINC44857485, AKOS016001418, FCH1407037, GS-5511, OR52617, TRA0091169, BBV-40283144, CJ-20505, SY023597, AJ-110217, AX8218541, DB-017943, ST2405628, TC-146318, 4CH-016823, FT-0687007, MFCD11858309 (97%), Z-3419, C8H4BrNO,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.948g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.03g/mol
Monoisotopic Mass	208.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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