Home Other Building Blocks [1-(difluoromethyl)-1H-imidazol-2-yl]methanol

[1-(difluoromethyl)-1H-imidazol-2-yl]methanol

CAS No.:
875858-83-6
Catalog Number:
AG019PGX
Molecular Formula:
C5H6F2N2O
Molecular Weight:
148.1107
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Product Description
Catalog Number:
AG019PGX
Chemical Name:
[1-(difluoromethyl)-1H-imidazol-2-yl]methanol
CAS Number:
875858-83-6
Molecular Formula:
C5H6F2N2O
Molecular Weight:
148.1107
MDL Number:
MFCD07841702
IUPAC Name:
[1-(difluoromethyl)imidazol-2-yl]methanol
InChI:
InChI=1S/C5H6F2N2O/c6-5(7)9-2-1-8-4(9)3-10/h1-2,5,10H,3H2
InChI Key:
XDBVTLKZYRPEBI-UHFFFAOYSA-N
SMILES:
OCc1nccn1C(F)F
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.045g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.113g/mol
Monoisotopic Mass:
148.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties