AG000DFT

116971-10-9 | Thiophene, 2,5-dibromo-3-butyl-

AG000DFT

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CAS Number	116971-10-9
Catalog Number	AG000DFT(AGN-PC-0JTKVY)
Chemical Name	Thiophene, 2,5-dibromo-3-butyl-
IUPAC Name	2,5-dibromo-3-butylthiophene
InChI	InChI=1S/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3
InChI Key	YRSQCQUZWSQKKU-UHFFFAOYSA-N
MDL Number	MFCD00672012
Molecular Formula	C8H10Br2S
Molecular Weight	298.0380
SMILES	CCCCC1=C(Br)SC(Br)=C1
Synonyms	2,5-Dibromo-3-butylthiophene, 116971-10-9, Thiophene, 2,5-dibromo-3-butyl-, MFCD00672012, AK-87962, AC1LCHL6, ACMC-2099tk, C8H10Br2S, KSC491I5N, 3-butyl-2,5-dibromothiophene, SCHEMBL3466429, 2,5-dibromo-3-butyl-thiophene, 2,5-Dibromo-3-n-butylthiophene, CTK3J1456, KS-00000FAJ, DTXSID00344916, 2,5-Dibromo-3-butylthiophene #, Thiophene,2,5-dibromo-3-butyl-, YRSQCQUZWSQKKU-UHFFFAOYSA-N, ZINC2567525, ANW-16998, CD-973, 2,5-bis(bromanyl)-3-butyl-thiophene, 2,5-Dibromo-3-butylthiophene, 96%, AKOS015898610, FCH1328070, RP16014, VT20034, AJ-41417, AN-33182, CC-07678, DS-18406, SC-44753, SY033194, AB0004802, AX8010624, DB-041344, RT-004943, 4CH-006732, FT-0642856, ST24027333, X4154, MFCD00672012 (96%), 971D109, A803693, C-18644, I09-1629, J-507290, CID600361, ACN-031874,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.885g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	298.036g/mol
Monoisotopic Mass	295.887g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

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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