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191602-42-3 | Benzene, 2-bromo-1-(1-methylethoxy)-4-nitro-
CAS No: 191602-42-3 Catalog No: AG002FD9 MDL No:MFCD12547884
Product Description
Catalog Number:
AG002FD9
Chemical Name:
Benzene, 2-bromo-1-(1-methylethoxy)-4-nitro-
CAS Number:
191602-42-3
Molecular Formula:
C9H10BrNO3
Molecular Weight:
260.0846
MDL Number:
MFCD12547884
IUPAC Name:
2-bromo-4-nitro-1-propan-2-yloxybenzene
InChI:
InChI=1S/C9H10BrNO3/c1-6(2)14-9-4-3-7(11(12)13)5-8(9)10/h3-6H,1-2H3
InChI Key:
SDYLUPCVAIKGTR-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1Br)[N+](=O)[O-])C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.087g/mol
Monoisotopic Mass:
258.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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