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128007-63-6 | 1,1':4',1''-Terphenyl, 3-(1-methylethyl)- (9CI)
CAS No: 128007-63-6 Catalog No: AG000XP4 MDL No:
Product Description
Catalog Number:
AG000XP4
Chemical Name:
1,1':4',1''-Terphenyl, 3-(1-methylethyl)- (9CI)
CAS Number:
128007-63-6
Molecular Formula:
C21H20
Molecular Weight:
272.3835
IUPAC Name:
1-phenyl-4-(3-propan-2-ylphenyl)benzene
InChI:
InChI=1S/C21H20/c1-16(2)20-9-6-10-21(15-20)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16H,1-2H3
InChI Key:
WAQRGSRRLYEOML-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)c1ccc(cc1)c1ccccc1)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.391g/mol
Monoisotopic Mass:
272.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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