AG003IFS

32896-02-9 | 3,4-Dibromothiophene-2-carboxaldehyde

AG003IFS

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CAS Number	32896-02-9
Catalog Number	AG003IFS(AGN-PC-0NJEJQ)
Chemical Name	3,4-Dibromothiophene-2-carboxaldehyde
IUPAC Name	3,4-dibromothiophene-2-carbaldehyde
InChI	InChI=1S/C5H2Br2OS/c6-3-2-9-4(1-8)5(3)7/h1-2H
InChI Key	QCCFUWPEUHXQMH-UHFFFAOYSA-N
MDL Number	MFCD08281875
Molecular Formula	C5H2Br2OS
Molecular Weight	269.9418
SMILES	O=CC1=C(Br)C(Br)=CS1
Synonyms	32896-02-9, 3,4-Dibromothiophene-2-carbaldehyde, 3,4-Dibromothiophene-2-carboxaldehyde, 3,4-dibromo-2-thiophenecarbaldehyde, 2-Thiophenecarboxaldehyde, 3,4-dibromo-, ACMC-20anfp, 3,4-DIBROMO-2-THIOPHENECARBOXALDEHYDE, SCHEMBL1235476, THI094, 3,4-dibromo-2-thiophenealdehyde, CTK4G9519, DTXSID60502550, QCCFUWPEUHXQMH-UHFFFAOYSA-N, KS-00001Z0B, ZINC8855250, 3,4-dibromothienyl-2-carboxaldehyde, MFCD08281875, AKOS000277880, AS06575, CM10705, QC-5932, TC-170044, 3,4-Dibromothiophene-2-carboxaldehyde, 97%, FT-0746552, D90006, 6Y-0851, J-018924,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.817g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.938g/mol
Monoisotopic Mass	267.819g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H319
Packing Group	Ⅲ
Precautionary statements	P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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