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175204-15-6 | 2-Azabicyclo[2.2.1]heptane-6-carbonitrile, 7-bromo-2-(phenylmethyl)-
CAS No: 175204-15-6 Catalog No: AG0020LM MDL No:
Product Description
Catalog Number:
AG0020LM
Chemical Name:
2-Azabicyclo[2.2.1]heptane-6-carbonitrile, 7-bromo-2-(phenylmethyl)-
CAS Number:
175204-15-6
Molecular Formula:
C14H15BrN2
Molecular Weight:
291.1863
IUPAC Name:
2-benzyl-7-bromo-2-azabicyclo[2.2.1]heptane-6-carbonitrile
InChI:
InChI=1S/C14H15BrN2/c15-13-12-6-11(7-16)14(13)17(9-12)8-10-4-2-1-3-5-10/h1-5,11-14H,6,8-9H2
InChI Key:
DEEVDUKZMAWCQE-UHFFFAOYSA-N
SMILES:
N#CC1CC2C(C1N(C2)Cc1ccccc1)Br
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.192g/mol
Monoisotopic Mass:
290.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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