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1239720-33-2 | Benzonitrile, 4-amino-3-bromo-5-nitro-
CAS No: 1239720-33-2 Catalog No: AG000LAC MDL No:MFCD22383659
Product Description
Catalog Number:
AG000LAC
Chemical Name:
Benzonitrile, 4-amino-3-bromo-5-nitro-
CAS Number:
1239720-33-2
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD22383659
IUPAC Name:
4-amino-3-bromo-5-nitrobenzonitrile
InChI:
InChI=1S/C7H4BrN3O2/c8-5-1-4(3-9)2-6(7(5)10)11(12)13/h1-2H,10H2
InChI Key:
CXFJPTGXTQYIPO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(c(c1)[N+](=O)[O-])N
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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