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921631-56-3 | Cyanamide, N-(4-bromo-2-ethylphenyl)-
CAS No: 921631-56-3 Catalog No: AG006GQF MDL No:
Product Description
Catalog Number:
AG006GQF
Chemical Name:
Cyanamide, N-(4-bromo-2-ethylphenyl)-
CAS Number:
921631-56-3
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
IUPAC Name:
(4-bromo-2-ethylphenyl)cyanamide
InChI:
InChI=1S/C9H9BrN2/c1-2-7-5-8(10)3-4-9(7)12-6-11/h3-5,12H,2H2,1H3
InChI Key:
LKUJTQIQJDLXDU-UHFFFAOYSA-N
SMILES:
N#CNc1ccc(cc1CC)Br
Properties
Complexity:
184
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:
1
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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