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Home > Bromides > 1305323-13-0
1305323-13-0 | 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(2-bromoacetyl)-, 1,1-dimethylethyl ester
CAS No: 1305323-13-0 Catalog No: AG01F37K MDL No:
Product Description
Catalog Number:
AG01F37K
Chemical Name:
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(2-bromoacetyl)-, 1,1-dimethylethyl ester
CAS Number:
1305323-13-0
Molecular Formula:
C12H18BrNO3
Molecular Weight:
304.1802
IUPAC Name:
tert-butyl 6-(2-bromoacetyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
InChI:
InChI=1S/C12H18BrNO3/c1-12(2,3)17-11(16)14-5-7-8(6-14)10(7)9(15)4-13/h7-8,10H,4-6H2,1-3H3
InChI Key:
IFAKPIGUBYQOLE-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1C2C1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.184g/mol
Monoisotopic Mass:
303.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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