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20195-22-6 | Benzoyl chloride, 2,4-dinitro-
CAS No: 20195-22-6 Catalog No: AG0027Y3 MDL No:
Product Description
Catalog Number:
AG0027Y3
Chemical Name:
Benzoyl chloride, 2,4-dinitro-
CAS Number:
20195-22-6
Molecular Formula:
C7H3ClN2O5
Molecular Weight:
230.5621
IUPAC Name:
2,4-dinitrobenzoyl chloride
InChI:
InChI=1S/C7H3ClN2O5/c8-7(11)5-2-1-4(9(12)13)3-6(5)10(14)15/h1-3H
InChI Key:
HETVWNJEAWTHHK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)Cl)[N+](=O)[O-]
EC Number:
243-578-1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.973g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.56g/mol
Monoisotopic Mass:
229.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation. | International journal of nanomedicine 20070901 |
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