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1330750-45-2 | Phenol, 3-chloro-4-methyl-2,6-dinitro-
CAS No: 1330750-45-2 Catalog No: AG00147M MDL No:MFCD19981505
Product Description
Catalog Number:
AG00147M
Chemical Name:
Phenol, 3-chloro-4-methyl-2,6-dinitro-
CAS Number:
1330750-45-2
Molecular Formula:
C7H5ClN2O5
Molecular Weight:
232.5780
MDL Number:
MFCD19981505
IUPAC Name:
3-chloro-4-methyl-2,6-dinitrophenol
InChI:
InChI=1S/C7H5ClN2O5/c1-3-2-4(9(12)13)7(11)6(5(3)8)10(14)15/h2,11H,1H3
InChI Key:
SSFPPEHPQLGLCK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(c(c1O)[N+](=O)[O-])Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.576g/mol
Monoisotopic Mass:
231.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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