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185246-17-7 | 2-Chloromethyloxazole
CAS No: 185246-17-7 Catalog No: AG0037X9 MDL No:MFCD04114926
Product Description
Catalog Number:
AG0037X9
Chemical Name:
2-Chloromethyloxazole
CAS Number:
185246-17-7
Molecular Formula:
C4H4ClNO
Molecular Weight:
117.5337
MDL Number:
MFCD04114926
IUPAC Name:
2-(chloromethyl)-1,3-oxazole
InChI:
InChI=1S/C4H4ClNO/c5-3-4-6-1-2-7-4/h1-2H,3H2
InChI Key:
NAOPGVBLRHCPHI-UHFFFAOYSA-N
SMILES:
ClCc1ncco1
Properties
Complexity:
59.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.998g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.532g/mol
Monoisotopic Mass:
116.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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