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175204-97-4

175204-97-4 | 2-Azabicyclo[2.2.1]heptane, 7-bromo-6-methoxy-2-(phenylmethyl)-

CAS No: 175204-97-4 Catalog No: AG0020NN MDL No:

Product Description

Catalog Number:
AG0020NN
Chemical Name:
2-Azabicyclo[2.2.1]heptane, 7-bromo-6-methoxy-2-(phenylmethyl)-
CAS Number:
175204-97-4
Molecular Formula:
C14H18BrNO
Molecular Weight:
296.2028
IUPAC Name:
2-benzyl-7-bromo-6-methoxy-2-azabicyclo[2.2.1]heptane
InChI:
InChI=1S/C14H18BrNO/c1-17-12-7-11-9-16(14(12)13(11)15)8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
InChI Key:
IYPLSDZKBBXDCH-UHFFFAOYSA-N
SMILES:
COC1CC2C(C1N(C2)Cc1ccccc1)Br

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.208g/mol
Monoisotopic Mass:
295.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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