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23136-18-7 | Pyrrolidine, 1-[2-(3-bromophenoxy)ethyl]-
CAS No: 23136-18-7 Catalog No: AG002MBC MDL No:MFCD01688255
Product Description
Catalog Number:
AG002MBC
Chemical Name:
Pyrrolidine, 1-[2-(3-bromophenoxy)ethyl]-
CAS Number:
23136-18-7
Molecular Formula:
C12H16BrNO
Molecular Weight:
270.1655
MDL Number:
MFCD01688255
IUPAC Name:
1-[2-(3-bromophenoxy)ethyl]pyrrolidine
InChI:
InChI=1S/C12H16BrNO/c13-11-4-3-5-12(10-11)15-9-8-14-6-1-2-7-14/h3-5,10H,1-2,6-9H2
InChI Key:
KMOFOKGTZRFKEM-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OCCN1CCCC1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.17g/mol
Monoisotopic Mass:
269.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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