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29568-78-3 | Benzoyl chloride, 4,5-dimethoxy-2-nitro-
CAS No: 29568-78-3 Catalog No: AG002YRS MDL No:
Product Description
Catalog Number:
AG002YRS
Chemical Name:
Benzoyl chloride, 4,5-dimethoxy-2-nitro-
CAS Number:
29568-78-3
Molecular Formula:
C9H8ClNO5
Molecular Weight:
245.6165
IUPAC Name:
4,5-dimethoxy-2-nitrobenzoyl chloride
InChI:
InChI=1S/C9H8ClNO5/c1-15-7-3-5(9(10)12)6(11(13)14)4-8(7)16-2/h3-4H,1-2H3
InChI Key:
JIBLFJAGRPFWLM-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)C(=O)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.615g/mol
Monoisotopic Mass:
245.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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