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100201-05-6 | Pentanoyl chloride, 5-(2-methoxy-4-nitrophenoxy)-
CAS No: 100201-05-6 Catalog No: AG000191 MDL No:
Product Description
Catalog Number:
AG000191
Chemical Name:
Pentanoyl chloride, 5-(2-methoxy-4-nitrophenoxy)-
CAS Number:
100201-05-6
Molecular Formula:
C12H14ClNO5
Molecular Weight:
287.6963
IUPAC Name:
5-(2-methoxy-4-nitrophenoxy)pentanoyl chloride
InChI:
InChI=1S/C12H14ClNO5/c1-18-11-8-9(14(16)17)5-6-10(11)19-7-3-2-4-12(13)15/h5-6,8H,2-4,7H2,1H3
InChI Key:
FLNQWZITDAAGLI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCCCCC(=O)Cl)[N+](=O)[O-]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.696g/mol
Monoisotopic Mass:
287.056g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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