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28491-03-4 | Pyrrolidine, 3-(4-bromophenoxy)-, hydrochloride (1:1)
CAS No: 28491-03-4 Catalog No: AG002VJ1 MDL No:MFCD09998965
Product Description
Catalog Number:
AG002VJ1
Chemical Name:
Pyrrolidine, 3-(4-bromophenoxy)-, hydrochloride (1:1)
CAS Number:
28491-03-4
Molecular Formula:
C10H13BrClNO
Molecular Weight:
278.5733
MDL Number:
MFCD09998965
IUPAC Name:
3-(4-bromophenoxy)pyrrolidine;hydrochloride
InChI:
InChI=1S/C10H12BrNO.ClH/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10;/h1-4,10,12H,5-7H2;1H
InChI Key:
FSPGQQCPSVBQPP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)OC1CNCC1.Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.574g/mol
Monoisotopic Mass:
276.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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