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49674-15-9

49674-15-9 | 3-Bromo-5-nitrobenzonitrile

CAS No: 49674-15-9 Catalog No: AG0038PL MDL No:MFCD00463804

Product Description

Catalog Number:
AG0038PL
Chemical Name:
3-Bromo-5-nitrobenzonitrile
CAS Number:
49674-15-9
Molecular Formula:
C7H3BrN2O2
Molecular Weight:
227.0149
MDL Number:
MFCD00463804
IUPAC Name:
3-bromo-5-nitrobenzonitrile
InChI:
InChI=1S/C7H3BrN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H
InChI Key:
RQGCXODNTLHVQJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1)[N+](=O)[O-]

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.938g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.017g/mol
Monoisotopic Mass:
225.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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