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Home > Nitro Compounds > 139061-34-0
139061-34-0 | Benzoyl chloride, 2-nitro-5-phenoxy-
CAS No: 139061-34-0 Catalog No: AG001A4B MDL No:
Product Description
Catalog Number:
AG001A4B
Chemical Name:
Benzoyl chloride, 2-nitro-5-phenoxy-
CAS Number:
139061-34-0
Molecular Formula:
C13H8ClNO4
Molecular Weight:
277.6599
IUPAC Name:
2-nitro-5-phenoxybenzoyl chloride
InChI:
InChI=1S/C13H8ClNO4/c14-13(16)11-8-10(6-7-12(11)15(17)18)19-9-4-2-1-3-5-9/h1-8H
InChI Key:
LXJRJMXZBOZRLN-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.66g/mol
Monoisotopic Mass:
277.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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