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Home > Bromides > 1630906-74-9
1630906-74-9 | 2H-Indazole-3-carboxylic acid, 5-bromo-2-methyl-, methyl ester
CAS No: 1630906-74-9 Catalog No: AG001TPU MDL No:MFCD28166280
Product Description
Catalog Number:
AG001TPU
Chemical Name:
2H-Indazole-3-carboxylic acid, 5-bromo-2-methyl-, methyl ester
CAS Number:
1630906-74-9
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
MDL Number:
MFCD28166280
IUPAC Name:
methyl 5-bromo-2-methylindazole-3-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-13-9(10(14)15-2)7-5-6(11)3-4-8(7)12-13/h3-5H,1-2H3
InChI Key:
PXDUHXBFBLGWMP-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1C(=O)OC)cc(cc2)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.098g/mol
Monoisotopic Mass:
267.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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