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706789-06-2 | (2-Chlorooxazol-4-yl)methanol
CAS No: 706789-06-2 Catalog No: AG005GUY MDL No:MFCD08234700
Product Description
Catalog Number:
AG005GUY
Chemical Name:
(2-Chlorooxazol-4-yl)methanol
CAS Number:
706789-06-2
Molecular Formula:
C4H4ClNO2
Molecular Weight:
133.5331
MDL Number:
MFCD08234700
IUPAC Name:
(2-chloro-1,3-oxazol-4-yl)methanol
InChI:
InChI=1S/C4H4ClNO2/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
InChI Key:
HMMQMGKNKSNKCV-UHFFFAOYSA-N
SMILES:
OCc1coc(n1)Cl
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.993g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.531g/mol
Monoisotopic Mass:
132.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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