Home Carboxys 1-((tert-Butoxycarbonyl);amino);-2,2-difluorocyclopropanecarboxylic acid

1-((tert-Butoxycarbonyl);amino);-2,2-difluorocyclopropanecarboxylic acid

CAS No.:
796882-45-6
Catalog Number:
AG00579J
Molecular Formula:
C9H13F2NO4
Molecular Weight:
237.2006
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Product Description
Catalog Number:
AG00579J
Chemical Name:
1-((tert-Butoxycarbonyl);amino);-2,2-difluorocyclopropanecarboxylic acid
CAS Number:
796882-45-6
Molecular Formula:
C9H13F2NO4
Molecular Weight:
237.2006
MDL Number:
MFCD16039589
IUPAC Name:
2,2-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H13F2NO4/c1-7(2,3)16-6(15)12-8(5(13)14)4-9(8,10)11/h4H2,1-3H3,(H,12,15)(H,13,14)
InChI Key:
FLCKECWKJDRFQF-UHFFFAOYSA-N
SMILES:
O=C(NC1(CC1(F)F)C(=O)O)OC(C)(C)C
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.081g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.203g/mol
Monoisotopic Mass:
237.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties