AG00C0NL

32412-39-8 | 1-(5-Bromothien-2-yl)propan-1-one

AG00C0NL

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CAS Number	32412-39-8
Catalog Number	AG00C0NL(AGN-PC-0JNSM3)
Chemical Name	1-(5-Bromothien-2-yl)propan-1-one
IUPAC Name	1-(5-bromothiophen-2-yl)propan-1-one
InChI	InChI=1S/C7H7BrOS/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2H2,1H3
InChI Key	JQAYKLHWCBPAEX-UHFFFAOYSA-N
MDL Number	MFCD01993682
Molecular Formula	C7H7BrOS
Molecular Weight	219.0989
NSC Number	80373
SMILES	CCC(C1=CC=C(Br)S1)=O
Synonyms	1-(5-bromothien-2-yl)propan-1-one, 32412-39-8, 1-(5-bromothiophen-2-yl)propan-1-one, 1-(5-bromo-2-thienyl)-1-propanone, 1-(5-bromo-2-thienyl)propan-1-one, 1-(5-bromo-thiophen-2-yl)-propan-1-one, NSC80373, AC1L5RPW, AC1Q5G4E, SCHEMBL847050, 5-bromo-2-thienyl ethyl ketone, CTK6C6531, DTXSID50292110, ALBB-002876, ZINC1596516, BBL037376, MFCD01993682, NSC-80373, STK317650, AKOS003956339, MCULE-1739764479, 1-(5-bromo-thiophen-2-yl)propan-1-one, TR-052916, BB 0216563, CS-0046834, ST45059837, W-8915, 1-(5-Bromo-2-thienyl)propan-1-one AldrichCPR, 1-(5-Bromo-2-thienyl)propan-1-one, AldrichCPR, AK-968/41025236, 5-Bromo-2-thienylethylketone, AR-1G7414, CID255121, 37419-59-3,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.94g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.096g/mol
Monoisotopic Mass	217.94g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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