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Home > Bromides > 1363383-11-2
1363383-11-2 | 1H-Indazole-3-carboxylic acid, 4-bromo-1-methyl-, methyl ester
CAS No: 1363383-11-2 Catalog No: AG0011QJ MDL No:
Product Description
Catalog Number:
AG0011QJ
Chemical Name:
1H-Indazole-3-carboxylic acid, 4-bromo-1-methyl-, methyl ester
CAS Number:
1363383-11-2
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
IUPAC Name:
methyl 4-bromo-1-methylindazole-3-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-13-7-5-3-4-6(11)8(7)9(12-13)10(14)15-2/h3-5H,1-2H3
InChI Key:
CSGSRUKWDLFCGI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c2c1c(Br)ccc2)C
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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