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69695-18-7 | 5-Oxazolecarbonyl chloride, 2,4-dimethyl-
CAS No: 69695-18-7 Catalog No: AG005UT5 MDL No:MFCD13173646
Product Description
Catalog Number:
AG005UT5
Chemical Name:
5-Oxazolecarbonyl chloride, 2,4-dimethyl-
CAS Number:
69695-18-7
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD13173646
IUPAC Name:
2,4-dimethyl-1,3-oxazole-5-carbonyl chloride
InChI:
InChI=1S/C6H6ClNO2/c1-3-5(6(7)9)10-4(2)8-3/h1-2H3
InChI Key:
UXTURJHEFJOGTJ-UHFFFAOYSA-N
SMILES:
Cc1nc(c(o1)C(=O)Cl)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.569g/mol
Monoisotopic Mass:
159.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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