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13988-20-0 | Acetamide, N-(5-chloro-2-benzoxazolyl)-
CAS No: 13988-20-0 Catalog No: AG001BRH MDL No:
Product Description
Catalog Number:
AG001BRH
Chemical Name:
Acetamide, N-(5-chloro-2-benzoxazolyl)-
CAS Number:
13988-20-0
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
N-(5-chloro-1,3-benzoxazol-2-yl)acetamide
InChI:
InChI=1S/C9H7ClN2O2/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChI Key:
KJWKUGSOUVKQOJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc2c(o1)ccc(c2)Cl
UNII:
00ODG4SLLJ
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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