AG001B61

139515-86-9 | 1H-​Inden-​5-​ol, 6-​bromo-​2,​3-​dihydro-​4-​nitro-

AG001B61

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CAS Number	139515-86-9
Catalog Number	AG001B61(AGN-PC-0JF421)
Chemical Name	1H-​Inden-​5-​ol, 6-​bromo-​2,​3-​dihydro-​4-​nitro-
IUPAC Name	6-bromo-4-nitro-2,3-dihydro-1H-inden-5-ol
InChI	InChI=1S/C9H8BrNO3/c10-7-4-5-2-1-3-6(5)8(9(7)12)11(13)14/h4,12H,1-3H2
InChI Key	UFMMRKGHDCFWAB-UHFFFAOYSA-N
MDL Number	MFCD23136024
Molecular Formula	C9H8BrNO3
Molecular Weight	258.0687
SMILES	N(=O)(=O)c1c2c(cc(c1O)Br)CCC2
Synonyms	6-Bromo-4-nitro-2,3-dihydro-1H-inden-5-ol, 139515-86-9, AK123047, SCHEMBL15326756, DTXSID60855896, 6785AA, MFCD23136024, QC-230, ZINC91301321, AKOS016012121, DS-6875, FCH2316364, AJ-129600, AX8247225, ST24045195, 1H-Inden-5-ol, 6-bromo-2,3-dihydro-4-nitro-, C9H8BrNO3, ACN-028579,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.969g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.071g/mol
Monoisotopic Mass	256.969g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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