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101909-43-7 | 1H-Indole-3-carboxylic acid, 4-bromo-, methyl ester
CAS No: 101909-43-7 Catalog No: AG0005X2 MDL No:MFCD09836009
Product Description
Catalog Number:
AG0005X2
Chemical Name:
1H-Indole-3-carboxylic acid, 4-bromo-, methyl ester
CAS Number:
101909-43-7
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD09836009
IUPAC Name:
methyl 4-bromo-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)6-5-12-8-4-2-3-7(11)9(6)8/h2-5,12H,1H3
InChI Key:
MPAHRSJGIHOVOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1c(Br)ccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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