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1199556-85-8 | 5,8-Dioxaspiro[3.4]octan-2-amine, 2-(4-bromophenyl)-
CAS No: 1199556-85-8 Catalog No: AG000PVV MDL No:MFCD22199279
Product Description
Catalog Number:
AG000PVV
Chemical Name:
5,8-Dioxaspiro[3.4]octan-2-amine, 2-(4-bromophenyl)-
CAS Number:
1199556-85-8
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
MDL Number:
MFCD22199279
IUPAC Name:
2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octan-2-amine
InChI:
InChI=1S/C12H14BrNO2/c13-10-3-1-9(2-4-10)11(14)7-12(8-11)15-5-6-16-12/h1-4H,5-8,14H2
InChI Key:
LZYMVCJDCZOUCW-UHFFFAOYSA-N
SMILES:
NC1(CC2(C1)OCCO2)c1ccc(cc1)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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