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18845-22-2 | 2(3H)-BENZOXAZOLONE, 3-(3-CHLOROPROPYL)-
CAS No: 18845-22-2 Catalog No: AG002GX8 MDL No:MFCD09811141
Product Description
Catalog Number:
AG002GX8
Chemical Name:
2(3H)-BENZOXAZOLONE, 3-(3-CHLOROPROPYL)-
CAS Number:
18845-22-2
Molecular Formula:
C10H10ClNO2
Molecular Weight:
211.6449
MDL Number:
MFCD09811141
IUPAC Name:
3-(3-chloropropyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H10ClNO2/c11-6-3-7-12-8-4-1-2-5-9(8)14-10(12)13/h1-2,4-5H,3,6-7H2
InChI Key:
KRABBWWLDWGYGA-UHFFFAOYSA-N
SMILES:
ClCCCn1c(=O)oc2c1cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.645g/mol
Monoisotopic Mass:
211.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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