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Home > Bromides > 1305320-64-2
1305320-64-2 | 1H-Indole-1-carboxylic acid, 3-bromo-4-methyl-, 1,1-dimethylethyl ester
CAS No: 1305320-64-2 Catalog No: AG000UL3 MDL No:MFCD18911743
Product Description
Catalog Number:
AG000UL3
Chemical Name:
1H-Indole-1-carboxylic acid, 3-bromo-4-methyl-, 1,1-dimethylethyl ester
CAS Number:
1305320-64-2
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
MDL Number:
MFCD18911743
IUPAC Name:
tert-butyl 3-bromo-4-methylindole-1-carboxylate
InChI:
InChI=1S/C14H16BrNO2/c1-9-6-5-7-11-12(9)10(15)8-16(11)13(17)18-14(2,3)4/h5-8H,1-4H3
InChI Key:
QWVXXRZFCVHOPO-UHFFFAOYSA-N
SMILES:
Brc1cn(c2c1c(C)ccc2)C(=O)OC(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.191g/mol
Monoisotopic Mass:
309.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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