AG001D6G

145543-83-5 | Thiophene, 2-bromo-3-octyl-

AG001D6G

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CAS Number	145543-83-5
Catalog Number	AG001D6G(AGN-PC-0NA0GW)
Chemical Name	Thiophene, 2-bromo-3-octyl-
IUPAC Name	2-bromo-3-octylthiophene
InChI	InChI=1S/C12H19BrS/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h9-10H,2-8H2,1H3
InChI Key	ISONQKSIWXLJOQ-UHFFFAOYSA-N
MDL Number	MFCD13193238
Molecular Formula	C12H19BrS
Molecular Weight	275.2483
SMILES	CCCCCCCCC1=C(Br)SC=C1
Synonyms	2-Bromo-3-octylthiophene, 145543-83-5, Thiophene, 2-bromo-3-octyl-, 2-bromo-3-octyl-thiophene, 2-Bromo-3-n-octylthiophene, AK-88740, ACMC-209cvf, C12H19BrS, Thiophene,2-bromo-3-octyl-, 2-bromanyl-3-octyl-thiophene, SCHEMBL1225175, CTK4C4595, DTXSID00444485, 2-Bromo-3-octylthiophene, 97%, ISONQKSIWXLJOQ-UHFFFAOYSA-N, KS-00000I8W, ANW-20953, MFCD13193238, AKOS015898630, ZINC100007507, AC-4939, CB-3590, CS-W012325, DS-1914, RP15292, TRA0082200, VT20110, AN-11482, SY036435, AB0005180, AX8165619, DB-050477, RT-007445, 4CH-009081, B3733, FT-0751412, ST24027816, X4148, MFCD13193238 (97%), M-8022, 543B835, A808387, I09-1634, J-508242, ACN-031877, CID10754854, 2-Bromo-3-octylthiophene, 97% - 1G 1g,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.039g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.248g/mol
Monoisotopic Mass	274.039g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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