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1365272-41-8 | Benzonitrile, 4-bromo-2-(dimethylamino)-
CAS No: 1365272-41-8 Catalog No: AG00120A MDL No:MFCD21609720
Product Description
Catalog Number:
AG00120A
Chemical Name:
Benzonitrile, 4-bromo-2-(dimethylamino)-
CAS Number:
1365272-41-8
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
MDL Number:
MFCD21609720
IUPAC Name:
4-bromo-2-(dimethylamino)benzonitrile
InChI:
InChI=1S/C9H9BrN2/c1-12(2)9-5-8(10)4-3-7(9)6-11/h3-5H,1-2H3
InChI Key:
PCXINOFREHRZRL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1N(C)C)Br
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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