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14078-30-9 | Urea, N,N'-bis(triphenylmethyl)-
CAS No: 14078-30-9 Catalog No: AG001CRZ MDL No:
Product Description
Catalog Number:
AG001CRZ
Chemical Name:
Urea, N,N'-bis(triphenylmethyl)-
CAS Number:
14078-30-9
Molecular Formula:
C39H32N2O
Molecular Weight:
544.6842
IUPAC Name:
1,3-ditritylurea
InChI:
InChI=1S/C39H32N2O/c42-37(40-38(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)41-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H,(H2,40,41,42)
InChI Key:
CQVREWWQPSLOTB-UHFFFAOYSA-N
SMILES:
O=C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.251g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
544.698g/mol
Monoisotopic Mass:
544.251g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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