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Home > Nitro Compounds > 1830-68-8
1830-68-8 | Benzene, 1-(1-methylethenyl)-4-nitro-
CAS No: 1830-68-8 Catalog No: AG0024C6 MDL No:MFCD29066158
Product Description
Catalog Number:
AG0024C6
Chemical Name:
Benzene, 1-(1-methylethenyl)-4-nitro-
CAS Number:
1830-68-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD29066158
IUPAC Name:
1-nitro-4-prop-1-en-2-ylbenzene
InChI:
InChI=1S/C9H9NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-6H,1H2,2H3
InChI Key:
LCJRDURRRLSHJO-UHFFFAOYSA-N
SMILES:
CC(=C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
187
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:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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