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17357-14-1 | 1H-Indol-3-ol, 5-bromo-, 3-acetate
CAS No: 17357-14-1 Catalog No: AG001Z1U MDL No:MFCD00037933
Product Description
Catalog Number:
AG001Z1U
Chemical Name:
1H-Indol-3-ol, 5-bromo-, 3-acetate
CAS Number:
17357-14-1
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD00037933
IUPAC Name:
(5-bromo-1H-indol-3-yl) acetate
InChI:
InChI=1S/C10H8BrNO2/c1-6(13)14-10-5-12-9-3-2-7(11)4-8(9)10/h2-5,12H,1H3
InChI Key:
KFTGECHXNQBTNZ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c[nH]c2c1cc(Br)cc2
EC Number:
241-387-8
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:
2.7
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