AG00DAFK

523977-64-2 | 4-BROMO-2-CYANOBENZALDEHYDE

AG00DAFK

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CAS Number	523977-64-2
Catalog Number	AG00DAFK(AGN-PC-09RPJ0)
Chemical Name	4-BROMO-2-CYANOBENZALDEHYDE
IUPAC Name	5-bromo-2-formylbenzonitrile
InChI	InChI=1S/C8H4BrNO/c9-8-2-1-6(5-11)7(3-8)4-10/h1-3,5H
InChI Key	ZIMYDLFCAWTIMY-UHFFFAOYSA-N
MDL Number	MFCD09261030
Molecular Formula	C8H4BrNO
Molecular Weight	210.0275
SMILES	BrC1=CC(C#N)=C(C=O)C=C1
Synonyms	4-BROMO-2-CYANOBENZALDEHYDE, 523977-64-2, 5-bromo-2-formylbenzonitrile, Benzonitrile, 5-bromo-2-formyl-, AK-64292, SCHEMBL898053, CTK1G7871, KS-00000ONE, DTXSID80695473, ZIMYDLFCAWTIMY-UHFFFAOYSA-N, 7389AB, ANW-68789, MFCD09261030, ZINC59796817, AKOS015995477, CS-W006525, FCH1391910, 4-bromo-2-cyanobenzaldehyde, AldrichCPR, BBV-40268017, DS-15410, SC-43705, AB0072797, AJ-113687, AX8211873, ST2413764, TC-157534, FT-0741240, C8H4BrNO, quinolin-2-ylmethanamine, 24078-12-4, 5760-20-3,

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

Certificate of Analysis

Lot Number