Home Nitros 1,1-difluoro-3-nitrobutan-2-ol

1,1-difluoro-3-nitrobutan-2-ol

CAS No.:
129660-33-9
Catalog Number:
AG01A9ES
Molecular Formula:
C4H7F2NO3
Molecular Weight:
155.1001
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Product Description
Catalog Number:
AG01A9ES
Chemical Name:
1,1-difluoro-3-nitrobutan-2-ol
CAS Number:
129660-33-9
Molecular Formula:
C4H7F2NO3
Molecular Weight:
155.1001
MDL Number:
MFCD16547739
IUPAC Name:
1,1-difluoro-3-nitrobutan-2-ol
InChI:
InChI=1S/C4H7F2NO3/c1-2(7(9)10)3(8)4(5)6/h2-4,8H,1H3
InChI Key:
BJDXAXMDSACXOY-UHFFFAOYSA-N
SMILES:
FC(C(C([N+](=O)[O-])C)O)F
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.039g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.101g/mol
Monoisotopic Mass:
155.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties