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17900-95-7 | 1H-Indole-3-carboxaldehyde, 5,6-dibromo-
CAS No: 17900-95-7 Catalog No: AG0026O2 MDL No:
Product Description
Catalog Number:
AG0026O2
Chemical Name:
1H-Indole-3-carboxaldehyde, 5,6-dibromo-
CAS Number:
17900-95-7
Molecular Formula:
C9H5Br2NO
Molecular Weight:
302.9501
IUPAC Name:
5,6-dibromo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5Br2NO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H
InChI Key:
YQUFUBJNKCIXAA-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(Br)c(c2)Br
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.872g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.953g/mol
Monoisotopic Mass:
300.874g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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