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100094-00-6 | 1,1':3',1''-Terphenyl, 5'-(bromomethyl)-
CAS No: 100094-00-6 Catalog No: AG0000WU MDL No:
Product Description
Catalog Number:
AG0000WU
Chemical Name:
1,1':3',1''-Terphenyl, 5'-(bromomethyl)-
CAS Number:
100094-00-6
Molecular Formula:
C19H15Br
Molecular Weight:
323.2264
IUPAC Name:
1-(bromomethyl)-3,5-diphenylbenzene
InChI:
InChI=1S/C19H15Br/c20-14-15-11-18(16-7-3-1-4-8-16)13-19(12-15)17-9-5-2-6-10-17/h1-13H,14H2
InChI Key:
NHDNIBJXNLUUSH-UHFFFAOYSA-N
SMILES:
BrCc1cc(cc(c1)c1ccccc1)c1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.233g/mol
Monoisotopic Mass:
322.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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