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885523-37-5 | 4-Bromo-3-formyl-1H-indazole-6-carboxylic acid
CAS No: 885523-37-5 Catalog No: AG004F16 MDL No:MFCD07781798
Product Description
Catalog Number:
AG004F16
Chemical Name:
4-Bromo-3-formyl-1H-indazole-6-carboxylic acid
CAS Number:
885523-37-5
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
MDL Number:
MFCD07781798
IUPAC Name:
4-bromo-3-formyl-2H-indazole-6-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O3/c10-5-1-4(9(14)15)2-6-8(5)7(3-13)12-11-6/h1-3H,(H,11,12)(H,14,15)
InChI Key:
IVFLTQPQOXRHQM-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1c(Br)cc(c2)C(=O)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.054g/mol
Monoisotopic Mass:
267.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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