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126811-31-2 | 1H-Indole, 4,7-dibromo-
CAS No: 126811-31-2 Catalog No: AG000TA3 MDL No:MFCD08272255
Product Description
Catalog Number:
AG000TA3
Chemical Name:
1H-Indole, 4,7-dibromo-
CAS Number:
126811-31-2
Molecular Formula:
C8H5Br2N
Molecular Weight:
274.9400
MDL Number:
MFCD08272255
IUPAC Name:
4,7-dibromo-1H-indole
InChI:
InChI=1S/C8H5Br2N/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
InChI Key:
LGHKXNCCGYOQRK-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1[nH]cc2)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.877g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.943g/mol
Monoisotopic Mass:
272.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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