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Home > Bromides > 1198096-55-7
1198096-55-7 | 1H-Pyrrolo[2,3-c]pyridine-1-carboxylic acid, 5-bromo-7-chloro-, 1,1-dimethylethyl ester
CAS No: 1198096-55-7 Catalog No: AG000PO5 MDL No:MFCD13176644
Product Description
Catalog Number:
AG000PO5
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-1-carboxylic acid, 5-bromo-7-chloro-, 1,1-dimethylethyl ester
CAS Number:
1198096-55-7
Molecular Formula:
C12H12BrClN2O2
Molecular Weight:
331.5929
MDL Number:
MFCD13176644
IUPAC Name:
tert-butyl 5-bromo-7-chloropyrrolo[2,3-c]pyridine-1-carboxylate
InChI:
InChI=1S/C12H12BrClN2O2/c1-12(2,3)18-11(17)16-5-4-7-6-8(13)15-10(14)9(7)16/h4-6H,1-3H3
InChI Key:
ZTHJWXDIQUDVFC-UHFFFAOYSA-N
SMILES:
O=C(n1ccc2c1c(Cl)nc(c2)Br)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.977g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.594g/mol
Monoisotopic Mass:
329.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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