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Home > Nitro Compounds > 101119-04-4
101119-04-4 | Benzeneacetyl chloride, 3-methoxy-2-nitro-4-(phenylmethoxy)-
CAS No: 101119-04-4 Catalog No: AG0003RZ MDL No:
Product Description
Catalog Number:
AG0003RZ
Chemical Name:
Benzeneacetyl chloride, 3-methoxy-2-nitro-4-(phenylmethoxy)-
CAS Number:
101119-04-4
Molecular Formula:
C16H14ClNO5
Molecular Weight:
335.7391
IUPAC Name:
2-(3-methoxy-2-nitro-4-phenylmethoxyphenyl)acetyl chloride
InChI:
InChI=1S/C16H14ClNO5/c1-22-16-13(23-10-11-5-3-2-4-6-11)8-7-12(9-14(17)19)15(16)18(20)21/h2-8H,9-10H2,1H3
InChI Key:
ZKSLVSSWNYVGLH-UHFFFAOYSA-N
SMILES:
COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])CC(=O)Cl
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.056g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.74g/mol
Monoisotopic Mass:
335.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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