AG00103D

132034-89-0 | Dibenzothiophene, 4-iodo-

AG00103D

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CAS Number	132034-89-0
Catalog Number	AG00103D(AGN-PC-0JRGLC)
Chemical Name	Dibenzothiophene, 4-iodo-
IUPAC Name	4-iododibenzothiophene
InChI	InChI=1S/C12H7IS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChI Key	SKILYZCQRUBEIH-UHFFFAOYSA-N
MDL Number	MFCD00159895
Molecular Formula	C12H7IS
Molecular Weight	310.1534
SMILES	IC1=C2C(C3=CC=CC=C3S2)=CC=C1
Synonyms	4-Iododibenzothiophene, 4-iododibenzo[b,d]thiophene, 132034-89-0, AK136636, Dibenzothiophene, 4-iodo-, AC1L9Y9X, C12H7IS, SCHEMBL355686, AC1Q4P99, dibenzo[b,d]thiophene, 4-iodo-, KS-00000ROK, DTXSID10332506, SKILYZCQRUBEIH-UHFFFAOYSA-N, ZINC399995, MFCD00159895, AKOS022171946, DS-5549, FCH1330530, MCULE-4935558174, AJ-21765, SC-51457, SY030029, AX8258204, DB-027073, 4CH-022347, FT-0723243, I0947, ST24043814, Z0097, MFCD00159895 (95%), Q-8659, 6-iodo-8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene, InChI=1/C12H7IS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7, AIDS018355, CID458353,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	309.931g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	310.152g/mol
Monoisotopic Mass	309.931g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H413
Packing Group
Precautionary statements	P264-P270-P273-P301+P312-P330
UN Code

Certificate of Analysis

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