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130420-78-9 | 1H-Indole-2,3-dione, 6-bromo-5-methoxy-
CAS No: 130420-78-9 Catalog No: AG000UEZ MDL No:MFCD23382479
Product Description
Catalog Number:
AG000UEZ
Chemical Name:
1H-Indole-2,3-dione, 6-bromo-5-methoxy-
CAS Number:
130420-78-9
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
MDL Number:
MFCD23382479
IUPAC Name:
6-bromo-5-methoxy-1H-indole-2,3-dione
InChI:
InChI=1S/C9H6BrNO3/c1-14-7-2-4-6(3-5(7)10)11-9(13)8(4)12/h2-3H,1H3,(H,11,12,13)
InChI Key:
YAPKYMNANRNKHH-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1Br)NC(=O)C2=O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.055g/mol
Monoisotopic Mass:
254.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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