AG00364H

644982-55-8 | 3-Bromo-5-cyanobenzaldehyde

AG00364H

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CAS Number	644982-55-8
Catalog Number	AG00364H(AGN-PC-09T158)
Chemical Name	3-Bromo-5-cyanobenzaldehyde
IUPAC Name	3-bromo-5-formylbenzonitrile
InChI	InChI=1S/C8H4BrNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
InChI Key	FKGQJUAOTNPVFD-UHFFFAOYSA-N
MDL Number	MFCD09261040
Molecular Formula	C8H4BrNO
Molecular Weight	210.0275
SMILES	BrC=1C=C(C=O)C=C(C1)C#N
Synonyms	3-Bromo-5-formylbenzonitrile, 644982-55-8, 3-BROMO-5-CYANOBENZALDEHYDE, SCHEMBL552453, Benzonitrile,3-bromo-5-formyl-, CTK5C1316, DTXSID90698899, Benzonitrile, 3-bromo-5-formyl-, FKGQJUAOTNPVFD-UHFFFAOYSA-N, 9880AB, ANW-63887, MFCD09261040, ZINC82048573, AB50042, FCH1324445, AS-33268, BBV-40200284, AJ-124756, AX8211788, TC-152632, FT-0707059, 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

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