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465514-03-8 | 3-(4-METHOXYPHENYL)-5-METHYL-4-ISOXAZOLECARBONYL CHLORIDE
CAS No: 465514-03-8 Catalog No: AG00D9P2 MDL No:MFCD03407359
Product Description
Catalog Number:
AG00D9P2
Chemical Name:
3-(4-METHOXYPHENYL)-5-METHYL-4-ISOXAZOLECARBONYL CHLORIDE
CAS Number:
465514-03-8
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD03407359
IUPAC Name:
3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C12H10ClNO3/c1-7-10(12(13)15)11(14-17-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3
InChI Key:
FABGSPUDPOKWCR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1C(=O)Cl)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:
0
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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