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261704-37-4 | Benzamide, 4-(chloromethyl)-N-(5-methyl-3-isoxazolyl)-
CAS No: 261704-37-4 Catalog No: AG002RYS MDL No:
Product Description
Catalog Number:
AG002RYS
Chemical Name:
Benzamide, 4-(chloromethyl)-N-(5-methyl-3-isoxazolyl)-
CAS Number:
261704-37-4
Molecular Formula:
C12H11ClN2O2
Molecular Weight:
250.6809
IUPAC Name:
4-(chloromethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
InChI:
InChI=1S/C12H11ClN2O2/c1-8-6-11(15-17-8)14-12(16)10-4-2-9(7-13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16)
InChI Key:
IONLKNVIDYSRPP-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C(=O)Nc1noc(c1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.682g/mol
Monoisotopic Mass:
250.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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