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Home > Bromides > 1018612-26-4
1018612-26-4 | 2-Propenoic acid, 3-(4-bromo-1H-indol-3-yl)-
CAS No: 1018612-26-4 Catalog No: AG0005SI MDL No:
Product Description
Catalog Number:
AG0005SI
Chemical Name:
2-Propenoic acid, 3-(4-bromo-1H-indol-3-yl)-
CAS Number:
1018612-26-4
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
IUPAC Name:
3-(4-bromo-1H-indol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C11H8BrNO2/c12-8-2-1-3-9-11(8)7(6-13-9)4-5-10(14)15/h1-6,13H,(H,14,15)
InChI Key:
NBIPARIWYVDONI-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1c[nH]c2c1c(Br)ccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.094g/mol
Monoisotopic Mass:
264.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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