Home Halogens 1-bromo-1,1-difluoro-3-nitropropan-2-ol

1-bromo-1,1-difluoro-3-nitropropan-2-ol

CAS No.:
1384427-94-4
Catalog Number:
AG019TNY
Molecular Formula:
C3H4BrF2NO3
Molecular Weight:
219.9696
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Product Description
Catalog Number:
AG019TNY
Chemical Name:
1-bromo-1,1-difluoro-3-nitropropan-2-ol
CAS Number:
1384427-94-4
Molecular Formula:
C3H4BrF2NO3
Molecular Weight:
219.9696
MDL Number:
MFCD22056475
IUPAC Name:
1-bromo-1,1-difluoro-3-nitropropan-2-ol
InChI:
InChI=1S/C3H4BrF2NO3/c4-3(5,6)2(8)1-7(9)10/h2,8H,1H2
InChI Key:
QMVUHUXNLXMJSP-UHFFFAOYSA-N
SMILES:
OC(C(Br)(F)F)C[N+](=O)[O-]
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.934g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.97g/mol
Monoisotopic Mass:
218.934g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties