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188925-64-6 | Phenol, 4-bromo-2-(1,4,7,10-tetraazacyclotridec-12-ylmethyl)-
CAS No: 188925-64-6 Catalog No: AG002HJT MDL No:
Product Description
Catalog Number:
AG002HJT
Chemical Name:
Phenol, 4-bromo-2-(1,4,7,10-tetraazacyclotridec-12-ylmethyl)-
CAS Number:
188925-64-6
Molecular Formula:
C16H27BrN4O
Molecular Weight:
371.3158
IUPAC Name:
4-bromo-2-(1,4,7,10-tetrazacyclotridec-12-ylmethyl)phenol
InChI:
InChI=1S/C16H27BrN4O/c17-15-1-2-16(22)14(10-15)9-13-11-20-7-5-18-3-4-19-6-8-21-12-13/h1-2,10,13,18-22H,3-9,11-12H2
InChI Key:
OSFHAGXVRABQEG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1CC1CNCCNCCNCCNC1)Br
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
371.323g/mol
Monoisotopic Mass:
370.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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