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Home > Nitro Compounds > 138715-75-0
138715-75-0 | Oxirane, (3,5-dinitrophenyl)-, (S)- (9CI)
CAS No: 138715-75-0 Catalog No: AG00192B MDL No:
Product Description
Catalog Number:
AG00192B
Chemical Name:
Oxirane, (3,5-dinitrophenyl)-, (S)- (9CI)
CAS Number:
138715-75-0
Molecular Formula:
C8H6N2O5
Molecular Weight:
210.1436
IUPAC Name:
2-(3,5-dinitrophenyl)oxirane
InChI:
InChI=1S/C8H6N2O5/c11-9(12)6-1-5(8-4-15-8)2-7(3-6)10(13)14/h1-3,8H,4H2
InChI Key:
ZAPKEWCAJBHZRB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)[C@@H]1OC1)[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.145g/mol
Monoisotopic Mass:
210.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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