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1375064-70-2 | Ethanone, 1-(3-bromo-4-chloro-1H-indol-1-yl)-
CAS No: 1375064-70-2 Catalog No: AG0013EP MDL No:MFCD22205873
Product Description
Catalog Number:
AG0013EP
Chemical Name:
Ethanone, 1-(3-bromo-4-chloro-1H-indol-1-yl)-
CAS Number:
1375064-70-2
Molecular Formula:
C10H7BrClNO
Molecular Weight:
272.5257
MDL Number:
MFCD22205873
IUPAC Name:
1-(3-bromo-4-chloroindol-1-yl)ethanone
InChI:
InChI=1S/C10H7BrClNO/c1-6(14)13-5-7(11)10-8(12)3-2-4-9(10)13/h2-5H,1H3
InChI Key:
XCAMLNKESBSRHX-UHFFFAOYSA-N
SMILES:
Brc1cn(c2c1c(Cl)ccc2)C(=O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.94g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.526g/mol
Monoisotopic Mass:
270.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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