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870888-94-1 | Pyrrolidine, 1-(2,4-dibromo-1-naphthalenyl)-
CAS No: 870888-94-1 Catalog No: AG004LKP MDL No:
Product Description
Catalog Number:
AG004LKP
Chemical Name:
Pyrrolidine, 1-(2,4-dibromo-1-naphthalenyl)-
CAS Number:
870888-94-1
Molecular Formula:
C14H13Br2N
Molecular Weight:
355.0677
IUPAC Name:
1-(2,4-dibromonaphthalen-1-yl)pyrrolidine
InChI:
InChI=1S/C14H13Br2N/c15-12-9-13(16)14(17-7-3-4-8-17)11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2
InChI Key:
JUNDCPCSTQMHSE-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1N1CCCC1)cccc2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.939g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.073g/mol
Monoisotopic Mass:
352.941g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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