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914637-74-4 | 5-(tert-Butyl)-1,3-oxazole-4-carbonyl chloride
CAS No: 914637-74-4 Catalog No: AG01EZ28 MDL No:
Product Description
Catalog Number:
AG01EZ28
Chemical Name:
5-(tert-Butyl)-1,3-oxazole-4-carbonyl chloride
CAS Number:
914637-74-4
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
IUPAC Name:
5-tert-butyl-1,3-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C8H10ClNO2/c1-8(2,3)6-5(7(9)11)10-4-12-6/h4H,1-3H3
InChI Key:
VQDSWPBSJUAOAI-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ncoc1C(C)(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.623g/mol
Monoisotopic Mass:
187.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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