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Home > Bromides > 1190320-84-3
1190320-84-3 | 1H-Indazole-1,3-dicarboxylic acid, 4-bromo-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 1190320-84-3 Catalog No: AG000HYE MDL No:
Product Description
Catalog Number:
AG000HYE
Chemical Name:
1H-Indazole-1,3-dicarboxylic acid, 4-bromo-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
1190320-84-3
Molecular Formula:
C14H15BrN2O4
Molecular Weight:
355.1839
IUPAC Name:
1-O-tert-butyl 3-O-methyl 4-bromoindazole-1,3-dicarboxylate
InChI:
InChI=1S/C14H15BrN2O4/c1-14(2,3)21-13(19)17-9-7-5-6-8(15)10(9)11(16-17)12(18)20-4/h5-7H,1-4H3
InChI Key:
ZRSMPLRPLMXWKP-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c2c1c(Br)ccc2)C(=O)OC(C)(C)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.022g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.188g/mol
Monoisotopic Mass:
354.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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