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Home > Bromides > 1000342-30-2
1000342-30-2 | Methyl 5-bromo-1H-indazole-6-carboxylate
CAS No: 1000342-30-2 Catalog No: AG0000IM MDL No:MFCD09749941
Product Description
Catalog Number:
AG0000IM
Chemical Name:
Methyl 5-bromo-1H-indazole-6-carboxylate
CAS Number:
1000342-30-2
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD09749941
IUPAC Name:
methyl 5-bromo-1H-indazole-6-carboxylate
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,1H3,(H,11,12)
InChI Key:
OMGXGABLIDYSNN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ncc2cc1Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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