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20291-98-9 | Phenol, 4-(methylamino)-2,6-dinitro-
CAS No: 20291-98-9 Catalog No: AG0028K4 MDL No:
Product Description
Catalog Number:
AG0028K4
Chemical Name:
Phenol, 4-(methylamino)-2,6-dinitro-
CAS Number:
20291-98-9
Molecular Formula:
C7H7N3O5
Molecular Weight:
213.1476
IUPAC Name:
4-(methylamino)-2,6-dinitrophenol
InChI:
InChI=1S/C7H7N3O5/c1-8-4-2-5(9(12)13)7(11)6(3-4)10(14)15/h2-3,8,11H,1H3
InChI Key:
RHHQGGGEFAQZLY-UHFFFAOYSA-N
SMILES:
CNc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
EC Number:
243-695-8
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.149g/mol
Monoisotopic Mass:
213.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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