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736992-49-7 | 2-Adamantyl-1-benzyloxy-4-bromobenzene
CAS No: 736992-49-7 Catalog No: AG003GBS MDL No:MFCD09258646
Product Description
Catalog Number:
AG003GBS
Chemical Name:
2-Adamantyl-1-benzyloxy-4-bromobenzene
CAS Number:
736992-49-7
Molecular Formula:
C23H25BrO
Molecular Weight:
397.3480
MDL Number:
MFCD09258646
IUPAC Name:
2-(5-bromo-2-phenylmethoxyphenyl)adamantane
InChI:
InChI=1S/C23H25BrO/c24-20-6-7-22(25-14-15-4-2-1-3-5-15)21(13-20)23-18-9-16-8-17(11-18)12-19(23)10-16/h1-7,13,16-19,23H,8-12,14H2
InChI Key:
USYFIKGHAJXZFA-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C1C2CC3CC1CC(C2)C3)OCc1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.356g/mol
Monoisotopic Mass:
396.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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