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100007-87-2 | Indeno[1,2-c]pyrazol-4(1H)-one, 3-(4-bromophenyl)-
CAS No: 100007-87-2 Catalog No: AG00009S MDL No:
Product Description
Catalog Number:
AG00009S
Chemical Name:
Indeno[1,2-c]pyrazol-4(1H)-one, 3-(4-bromophenyl)-
CAS Number:
100007-87-2
Molecular Formula:
C16H9BrN2O
Molecular Weight:
325.1595
IUPAC Name:
3-(4-bromophenyl)-1H-indeno[1,2-c]pyrazol-4-one
InChI:
InChI=1S/C16H9BrN2O/c17-10-7-5-9(6-8-10)14-13-15(19-18-14)11-3-1-2-4-12(11)16(13)20/h1-8H,(H,18,19)
InChI Key:
BEWWCIBKSVLUDB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.99g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.165g/mol
Monoisotopic Mass:
323.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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