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1243415-10-2 | 4-Isoxazolecarboxylic acid, 5-[4-(chloromethyl)phenyl]-3-methyl-
CAS No: 1243415-10-2 Catalog No: AG000LVJ MDL No:
Product Description
Catalog Number:
AG000LVJ
Chemical Name:
4-Isoxazolecarboxylic acid, 5-[4-(chloromethyl)phenyl]-3-methyl-
CAS Number:
1243415-10-2
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
IUPAC Name:
5-[4-(chloromethyl)phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C12H10ClNO3/c1-7-10(12(15)16)11(17-14-7)9-4-2-8(6-13)3-5-9/h2-5H,6H2,1H3,(H,15,16)
InChI Key:
JVJVXXMFTFTUDP-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)c1onc(c1C(=O)O)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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