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24487-91-0 | Benzoyl chloride, 3-methoxy-2-methyl-
CAS No: 24487-91-0 Catalog No: AG002OBL MDL No:
Product Description
Catalog Number:
AG002OBL
Chemical Name:
Benzoyl chloride, 3-methoxy-2-methyl-
CAS Number:
24487-91-0
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
IUPAC Name:
3-methoxy-2-methylbenzoyl chloride
InChI:
InChI=1S/C9H9ClO2/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3
InChI Key:
BXKZGIVKHPCDFO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C)C(=O)Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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