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70136-12-8 | 3,5-Dinitrophenylnitromethane
CAS No: 70136-12-8 Catalog No: AG00FFSY MDL No:
Product Description
Catalog Number:
AG00FFSY
Chemical Name:
3,5-Dinitrophenylnitromethane
CAS Number:
70136-12-8
IUPAC Name:
2,4-dinitro-1-(nitromethyl)benzene
InChI:
InChI=1S/C7H5N3O6/c11-8(12)4-5-1-2-6(9(13)14)3-7(5)10(15)16/h1-3H,4H2
InChI Key:
PLYLLRFCEAUGIV-UHFFFAOYSA-N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.132g/mol
Monoisotopic Mass:
227.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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