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1215206-56-6 | Benzonitrile, 5-amino-2-bromo-4-chloro-
CAS No: 1215206-56-6 Catalog No: AG00157O MDL No:MFCD13195640
Product Description
Catalog Number:
AG00157O
Chemical Name:
Benzonitrile, 5-amino-2-bromo-4-chloro-
CAS Number:
1215206-56-6
Molecular Formula:
C7H4BrClN2
Molecular Weight:
231.4771
MDL Number:
MFCD13195640
IUPAC Name:
5-amino-2-bromo-4-chlorobenzonitrile
InChI:
InChI=1S/C7H4BrClN2/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2H,11H2
InChI Key:
PFNQBUNIWRQPRB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)c(cc1Br)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.925g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.477g/mol
Monoisotopic Mass:
229.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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