AG004EOW

874840-87-6 | 7-iodo-3,4-dihydro-2H-1,4-benzoxazin-3-one

AG004EOW

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CAS Number	874840-87-6
Catalog Number	AG004EOW(AGN-PC-0BS6NU)
Chemical Name	7-iodo-3,4-dihydro-2H-1,4-benzoxazin-3-one
IUPAC Name	7-iodo-4H-1,4-benzoxazin-3-one
InChI	InChI=1S/C8H6INO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChI Key	RNGWLYQJCXPBKZ-UHFFFAOYSA-N
MDL Number	MFCD07774202
Molecular Formula	C8H6INO2
Molecular Weight	275.0432
SMILES	O=C1NC2=CC=C(I)C=C2OC1
Synonyms	7-Iodo-2H-benzo[b][1,4]oxazin-3(4H)-one, 874840-87-6, 7-IODO-2H-1,4-BENZOXAZIN-3(4H)-ONE, 7-IODO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE, AK-77082, C8H6INO2, SCHEMBL8006749, CTK8B5517, KS-00000PJS, DTXSID30720966, BUTTPARK 120\07-79, ANW-48995, MFCD07774202, ZINC72482095, AKOS015920278, DS-1423, FCH1323897, MB04728, BR-77082, DA-17690, AB0027170, AJ-121162, AX8223649, TC-137740, 4CH-011232, FT-0688719, ST24024533, W8975, S-6569, BUTTPARK120\07-79,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.944g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	275.045g/mol
Monoisotopic Mass	274.944g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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