Home Halogens 4-(dibromomethyl)-3-nitrobenzonitrile

4-(dibromomethyl)-3-nitrobenzonitrile

CAS No.:
122947-72-2
Catalog Number:
AG01C5AW
Molecular Formula:
C8H4Br2N2O2
Molecular Weight:
319.9376
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Product Description
Catalog Number:
AG01C5AW
Chemical Name:
4-(dibromomethyl)-3-nitrobenzonitrile
CAS Number:
122947-72-2
Molecular Formula:
C8H4Br2N2O2
Molecular Weight:
319.9376
MDL Number:
MFCD29763357
IUPAC Name:
4-(dibromomethyl)-3-nitrobenzonitrile
InChI:
InChI=1S/C8H4Br2N2O2/c9-8(10)6-2-1-5(4-11)3-7(6)12(13)14/h1-3,8H
InChI Key:
QSNWGGZLZYPJJC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])C(Br)Br
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.862g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.94g/mol
Monoisotopic Mass:
317.864g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties