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1212-20-0 | 1-nitro-4-(2-nitrobut-1-en-1-yl)benzene
CAS No: 1212-20-0 Catalog No: AG01A0BV MDL No:MFCD02245480
Product Description
Catalog Number:
AG01A0BV
Chemical Name:
1-nitro-4-(2-nitrobut-1-en-1-yl)benzene
CAS Number:
1212-20-0
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD02245480
IUPAC Name:
1-nitro-4-(2-nitrobut-1-enyl)benzene
InChI:
InChI=1S/C10H10N2O4/c1-2-9(11(13)14)7-8-3-5-10(6-4-8)12(15)16/h3-7H,2H2,1H3
InChI Key:
WFOBQJIBZWZLLZ-UHFFFAOYSA-N
SMILES:
CCC(=Cc1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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