AG019ZEG

918350-11-5 | 4-Bromo-2-(methylsulfanyl)benzaldehyde

AG019ZEG

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CAS Number	918350-11-5
Catalog Number	AG019ZEG(AGN-PC-0CV6LF)
Chemical Name	4-Bromo-2-(methylsulfanyl)benzaldehyde
IUPAC Name	4-bromo-2-methylsulfanylbenzaldehyde
InChI	InChI=1S/C8H7BrOS/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChI Key	QIXIWZNICPQRQP-UHFFFAOYSA-N
MDL Number	MFCD18887984
Molecular Formula	C8H7BrOS
Molecular Weight	231.1096
SMILES	O=CC1=CC=C(Br)C=C1SC
Synonyms	4-bromo-2-(methylsulfanyl)benzaldehyde, 918350-11-5, SCHEMBL13437720, CTK3H7840, DTXSID40731341, ZINC75772009, AKOS013114377, NE22029, Benzaldehyde, 4-bromo-2-(methylthio)-, 4-bromo-2-(methylthio)benzaldehyde,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.94g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.107g/mol
Monoisotopic Mass	229.94g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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