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201857-39-8 | Benzonitrile, 4-amino-3-bromo-5-chloro-
CAS No: 201857-39-8 Catalog No: AG0027WG MDL No:MFCD08436082
Product Description
Catalog Number:
AG0027WG
Chemical Name:
Benzonitrile, 4-amino-3-bromo-5-chloro-
CAS Number:
201857-39-8
Molecular Formula:
C7H4BrClN2
Molecular Weight:
231.4771
MDL Number:
MFCD08436082
IUPAC Name:
4-amino-3-bromo-5-chlorobenzonitrile
InChI:
InChI=1S/C7H4BrClN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChI Key:
RVAYUALQDNDXJD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(c(c1)Br)N
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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