Home Halogens 2-{[(tert-butoxy)carbonyl]amino}-4-chloropent-4-enoic acid

2-{[(tert-butoxy)carbonyl]amino}-4-chloropent-4-enoic acid

CAS No.:
2044713-54-2
Catalog Number:
AG01BXV9
Molecular Formula:
C10H16ClNO4
Molecular Weight:
249.6913
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Product Description
Catalog Number:
AG01BXV9
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-4-chloropent-4-enoic acid
CAS Number:
2044713-54-2
Molecular Formula:
C10H16ClNO4
Molecular Weight:
249.6913
MDL Number:
MFCD30488048
IUPAC Name:
4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI:
InChI=1S/C10H16ClNO4/c1-6(11)5-7(8(13)14)12-9(15)16-10(2,3)4/h7H,1,5H2,2-4H3,(H,12,15)(H,13,14)
InChI Key:
WJNCHVJEXCRQHP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)CC(=C)Cl
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.691g/mol
Monoisotopic Mass:
249.077g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties