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116161-44-5 | 2H-Isoindole, 2-(4-bromophenyl)-
CAS No: 116161-44-5 Catalog No: AG000BSN MDL No:
Product Description
Catalog Number:
AG000BSN
Chemical Name:
2H-Isoindole, 2-(4-bromophenyl)-
CAS Number:
116161-44-5
Molecular Formula:
C14H10BrN
Molecular Weight:
272.1399
IUPAC Name:
2-(4-bromophenyl)isoindole
InChI:
InChI=1S/C14H10BrN/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-10H
InChI Key:
WGMFZRPPVMTRNX-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1cc2c(c1)cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.145g/mol
Monoisotopic Mass:
271g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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