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102434-02-6 | Urea, N-1-anthracenyl-N'-(2-bromoethyl)-
CAS No: 102434-02-6 Catalog No: AG0007HE MDL No:
Product Description
Catalog Number:
AG0007HE
Chemical Name:
Urea, N-1-anthracenyl-N'-(2-bromoethyl)-
CAS Number:
102434-02-6
Molecular Formula:
C17H15BrN2O
Molecular Weight:
343.2178
IUPAC Name:
1-anthracen-1-yl-3-(2-bromoethyl)urea
InChI:
InChI=1S/C17H15BrN2O/c18-8-9-19-17(21)20-16-7-3-6-14-10-12-4-1-2-5-13(12)11-15(14)16/h1-7,10-11H,8-9H2,(H2,19,20,21)
InChI Key:
WTUNKSHWZYZOPD-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)Nc1cccc2c1cc1ccccc1c2
NSC Number:
136002
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.037g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.224g/mol
Monoisotopic Mass:
342.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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