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Home > Bromides > 1000341-53-6
1000341-53-6 | 1H-Indazole-3-carboxylic acid, 6-bromo-4-fluoro-, methyl ester
CAS No: 1000341-53-6 Catalog No: AG0000HO MDL No:
Product Description
Catalog Number:
AG0000HO
Chemical Name:
1H-Indazole-3-carboxylic acid, 6-bromo-4-fluoro-, methyl ester
CAS Number:
1000341-53-6
Molecular Formula:
C9H6BrFN2O2
Molecular Weight:
273.0585
IUPAC Name:
methyl 6-bromo-4-fluoro-1H-indazole-3-carboxylate
InChI:
InChI=1S/C9H6BrFN2O2/c1-15-9(14)8-7-5(11)2-4(10)3-6(7)12-13-8/h2-3H,1H3,(H,12,13)
InChI Key:
HZTYDUMMKKHYGM-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1c(F)cc(c2)Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.96g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.061g/mol
Monoisotopic Mass:
271.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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