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220664-31-3 | Methyl 3-bromo-1H-indole-2-carboxylate
CAS No: 220664-31-3 Catalog No: AG003RRK MDL No:MFCD03844858
Product Description
Catalog Number:
AG003RRK
Chemical Name:
Methyl 3-bromo-1H-indole-2-carboxylate
CAS Number:
220664-31-3
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD03844858
IUPAC Name:
methyl 3-bromo-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)9-8(11)6-4-2-3-5-7(6)12-9/h2-5,12H,1H3
InChI Key:
FSLMMQAVWOFUOM-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c2c(c1Br)cccc2
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:
2.9
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