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Home > Nitro Compounds > 123158-61-2
123158-61-2 | 1-ALLYL-3-NITROBENZENE
CAS No: 123158-61-2 Catalog No: AG01BNU1 MDL No:MFCD26391020
Product Description
Catalog Number:
AG01BNU1
Chemical Name:
1-ALLYL-3-NITROBENZENE
CAS Number:
123158-61-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD26391020
IUPAC Name:
1-nitro-3-prop-2-enylbenzene
InChI:
InChI=1S/C9H9NO2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h2-3,5-7H,1,4H2
InChI Key:
PKRZOCHBKRVRNC-UHFFFAOYSA-N
SMILES:
C=CCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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