Home Halogens tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate

tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate

CAS No.:
1225218-94-9
Catalog Number:
AG00AA12
Molecular Formula:
C11H18BrNO3
Molecular Weight:
292.1695
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Product Description
Catalog Number:
AG00AA12
Chemical Name:
tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate
CAS Number:
1225218-94-9
Molecular Formula:
C11H18BrNO3
Molecular Weight:
292.1695
MDL Number:
MFCD18910109
IUPAC Name:
tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-5-4-8(7-13)9(14)6-12/h8H,4-7H2,1-3H3
InChI Key:
CSIKGZJXGIQELU-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.047g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.173g/mol
Monoisotopic Mass:
291.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties