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Home > Bromides > 1403767-11-2
1403767-11-2 | 1H-Indazole-3-carboxylic acid, 5-bromo-4-nitro-, methyl ester
CAS No: 1403767-11-2 Catalog No: AG001CAL MDL No:MFCD23106303
Product Description
Catalog Number:
AG001CAL
Chemical Name:
1H-Indazole-3-carboxylic acid, 5-bromo-4-nitro-, methyl ester
CAS Number:
1403767-11-2
Molecular Formula:
C9H6BrN3O4
Molecular Weight:
300.0656
MDL Number:
MFCD23106303
IUPAC Name:
methyl 5-bromo-4-nitro-1H-indazole-3-carboxylate
InChI:
InChI=1S/C9H6BrN3O4/c1-17-9(14)7-6-5(11-12-7)3-2-4(10)8(6)13(15)16/h2-3H,1H3,(H,11,12)
InChI Key:
KUBCOLKUCDHPLQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)ccc2c1c(n[nH]2)C(=O)OC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.954g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.068g/mol
Monoisotopic Mass:
298.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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