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1381944-31-5

1381944-31-5 | Benzene, 5-bromo-2-butoxy-1-methyl-3-nitro-

CAS No: 1381944-31-5 Catalog No: AG00185X MDL No:MFCD22375006

Product Description

Catalog Number:
AG00185X
Chemical Name:
Benzene, 5-bromo-2-butoxy-1-methyl-3-nitro-
CAS Number:
1381944-31-5
Molecular Formula:
C11H14BrNO3
Molecular Weight:
288.1378
MDL Number:
MFCD22375006
IUPAC Name:
5-bromo-2-butoxy-1-methyl-3-nitrobenzene
InChI:
InChI=1S/C11H14BrNO3/c1-3-4-5-16-11-8(2)6-9(12)7-10(11)13(14)15/h6-7H,3-5H2,1-2H3
InChI Key:
BUAGNQPTTFVDTK-UHFFFAOYSA-N
SMILES:
CCCCOc1c(C)cc(cc1[N+](=O)[O-])Br

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.016g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.141g/mol
Monoisotopic Mass:
287.016g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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