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30866-86-5 | Phosphorane, bromo(cycloheptylamino)triphenyl- (8CI)
CAS No: 30866-86-5 Catalog No: AG0031JH MDL No:
Product Description
Catalog Number:
AG0031JH
Chemical Name:
Phosphorane, bromo(cycloheptylamino)triphenyl- (8CI)
CAS Number:
30866-86-5
Molecular Formula:
C25H29BrNP
Molecular Weight:
454.3822
IUPAC Name:
N-[bromo(triphenyl)-λ5-phosphanyl]cycloheptanamine
InChI:
InChI=1S/C25H29BrNP/c26-28(23-16-8-3-9-17-23,24-18-10-4-11-19-24,25-20-12-5-13-21-25)27-22-14-6-1-2-7-15-22/h3-5,8-13,16-22,27H,1-2,6-7,14-15H2
InChI Key:
PMTRLHZAJQQSTL-UHFFFAOYSA-N
SMILES:
BrP(c1ccccc1)(c1ccccc1)(c1ccccc1)NC1CCCCCC1
NSC Number:
99060
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.122g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.392g/mol
Monoisotopic Mass:
453.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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