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101980-41-0 | Benzene, 2-bromo-1-(1-methylethyl)-4-nitro-
CAS No: 101980-41-0 Catalog No: AG000663 MDL No:MFCD12024309
Product Description
Catalog Number:
AG000663
Chemical Name:
Benzene, 2-bromo-1-(1-methylethyl)-4-nitro-
CAS Number:
101980-41-0
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD12024309
IUPAC Name:
2-bromo-4-nitro-1-propan-2-ylbenzene
InChI:
InChI=1S/C9H10BrNO2/c1-6(2)8-4-3-7(11(12)13)5-9(8)10/h3-6H,1-2H3
InChI Key:
QMWKRZOLOPHTIM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1Br)[N+](=O)[O-])C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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