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121554-10-7 | Benzonitrile, 5-bromo-2-iodo-
CAS No: 121554-10-7 Catalog No: AG00159W MDL No:MFCD00672950
Product Description
Catalog Number:
AG00159W
Chemical Name:
Benzonitrile, 5-bromo-2-iodo-
CAS Number:
121554-10-7
Molecular Formula:
C7H3BrIN
Molecular Weight:
307.9139
MDL Number:
MFCD00672950
IUPAC Name:
5-bromo-2-iodobenzonitrile
InChI:
InChI=1S/C7H3BrIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChI Key:
JIGKPMMZNMQXDL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1I
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.849g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.916g/mol
Monoisotopic Mass:
306.849g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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