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121505-49-5 | Cyclohepta[b]pyrrole, 8-bromo-2-phenyl-
CAS No: 121505-49-5 Catalog No: AG00153O MDL No:
Product Description
Catalog Number:
AG00153O
Chemical Name:
Cyclohepta[b]pyrrole, 8-bromo-2-phenyl-
CAS Number:
121505-49-5
Molecular Formula:
C15H10BrN
Molecular Weight:
284.1506
IUPAC Name:
8-bromo-2-phenylcyclohepta[b]pyrrole
InChI:
InChI=1S/C15H10BrN/c16-13-9-5-4-8-12-10-14(17-15(12)13)11-6-2-1-3-7-11/h1-10H
InChI Key:
QNMUGGOJOCUOBL-UHFFFAOYSA-N
SMILES:
Brc1ccccc2c1nc(c2)c1ccccc1
NSC Number:
639896
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.156g/mol
Monoisotopic Mass:
283g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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