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113934-13-7 | Acetyl chloride, [(4,5-dihydro-4-methyl-2-phenyl-4-oxazolyl)methoxy]- (9CI)
CAS No: 113934-13-7 Catalog No: AG000A3W MDL No:
Product Description
Catalog Number:
AG000A3W
Chemical Name:
Acetyl chloride, [(4,5-dihydro-4-methyl-2-phenyl-4-oxazolyl)methoxy]- (9CI)
CAS Number:
113934-13-7
Molecular Formula:
C13H14ClNO3
Molecular Weight:
267.7082
IUPAC Name:
2-[(4-methyl-2-phenyl-5H-1,3-oxazol-4-yl)methoxy]acetyl chloride
InChI:
InChI=1S/C13H14ClNO3/c1-13(8-17-7-11(14)16)9-18-12(15-13)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChI Key:
ZNEYDXRAAFYBNR-UHFFFAOYSA-N
SMILES:
ClC(=O)COCC1(C)COC(=N1)c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.709g/mol
Monoisotopic Mass:
267.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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