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Home > Bromides > 1134328-15-6
1134328-15-6 | 1H-Indazole-3-carboxylic acid, 5-bromo-6-methoxy-, methyl ester
CAS No: 1134328-15-6 Catalog No: AG0008KE MDL No:MFCD11858405
Product Description
Catalog Number:
AG0008KE
Chemical Name:
1H-Indazole-3-carboxylic acid, 5-bromo-6-methoxy-, methyl ester
CAS Number:
1134328-15-6
Molecular Formula:
C10H9BrN2O3
Molecular Weight:
285.0941
MDL Number:
MFCD11858405
IUPAC Name:
methyl 5-bromo-6-methoxy-1H-indazole-3-carboxylate
InChI:
InChI=1S/C10H9BrN2O3/c1-15-8-4-7-5(3-6(8)11)9(13-12-7)10(14)16-2/h3-4H,1-2H3,(H,12,13)
InChI Key:
INTKEYLIECPVQT-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1cc(Br)c(c2)OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.097g/mol
Monoisotopic Mass:
283.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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