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Home > Bromides > 1246471-36-2
1246471-36-2 | 1H-Indole-1-carboxylic acid, 3-bromo-6-chloro-, 1,1-dimethylethyl ester
CAS No: 1246471-36-2 Catalog No: AG000MIP MDL No:MFCD17169908
Product Description
Catalog Number:
AG000MIP
Chemical Name:
1H-Indole-1-carboxylic acid, 3-bromo-6-chloro-, 1,1-dimethylethyl ester
CAS Number:
1246471-36-2
Molecular Formula:
C13H13BrClNO2
Molecular Weight:
330.6048
MDL Number:
MFCD17169908
IUPAC Name:
tert-butyl 3-bromo-6-chloroindole-1-carboxylate
InChI:
InChI=1S/C13H13BrClNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3
InChI Key:
BZZPVBVOSNRGHB-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1cc(Cl)cc2)Br)OC(C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.982g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.606g/mol
Monoisotopic Mass:
328.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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