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139515-86-9 | 1H-Inden-5-ol, 6-bromo-2,3-dihydro-4-nitro-
CAS No: 139515-86-9 Catalog No: AG001B61 MDL No:MFCD23136024
Product Description
Catalog Number:
AG001B61
Chemical Name:
1H-Inden-5-ol, 6-bromo-2,3-dihydro-4-nitro-
CAS Number:
139515-86-9
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD23136024
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
SMILES:
Brc1cc2CCCc2c(c1O)[N+](=O)[O-]
Properties
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
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