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1000577-48-9 | Benzonitrile, 2-amino-5-chloro-3-iodo-
CAS No: 1000577-48-9 Catalog No: AG0000QR MDL No:MFCD09800802
Product Description
Catalog Number:
AG0000QR
Chemical Name:
Benzonitrile, 2-amino-5-chloro-3-iodo-
CAS Number:
1000577-48-9
Molecular Formula:
C7H4ClIN2
Molecular Weight:
278.4775
MDL Number:
MFCD09800802
IUPAC Name:
2-amino-5-chloro-3-iodobenzonitrile
InChI:
InChI=1S/C7H4ClIN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChI Key:
NPZRUCKIIXISQQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)cc(c1N)I
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.911g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.477g/mol
Monoisotopic Mass:
277.911g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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