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75706-00-2 | 4-Isoxazolecarbonylchloride, 5-butyl-
CAS No: 75706-00-2 Catalog No: AG005AHS MDL No:
Product Description
Catalog Number:
AG005AHS
Chemical Name:
4-Isoxazolecarbonylchloride, 5-butyl-
CAS Number:
75706-00-2
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
IUPAC Name:
5-butyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C8H10ClNO2/c1-2-3-4-7-6(8(9)11)5-10-12-7/h5H,2-4H2,1H3
InChI Key:
MFWVUXQQNCGGPX-UHFFFAOYSA-N
SMILES:
CCCCc1oncc1C(=O)Cl
Properties
Complexity:
163
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:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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