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Home > Nitro Compounds > 23442-21-9
23442-21-9 | Benzoyl chloride, 3-butoxy-4-nitro-
CAS No: 23442-21-9 Catalog No: AG002N9M MDL No:
Product Description
Catalog Number:
AG002N9M
Chemical Name:
Benzoyl chloride, 3-butoxy-4-nitro-
CAS Number:
23442-21-9
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
IUPAC Name:
3-butoxy-4-nitrobenzoyl chloride
InChI:
InChI=1S/C11H12ClNO4/c1-2-3-6-17-10-7-8(11(12)14)4-5-9(10)13(15)16/h4-5,7H,2-3,6H2,1H3
InChI Key:
RSUQWBCEFFWCAD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1OCCCC)C(=O)Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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