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116129-61-4

116129-61-4 | 1,1':3',1''-Terphenyl, 2,2'',6,6''-tetrakis(bromomethyl)- (9CI)

CAS No: 116129-61-4 Catalog No: AG000BPP MDL No:

Product Description

Catalog Number:
AG000BPP
Chemical Name:
1,1':3',1''-Terphenyl, 2,2'',6,6''-tetrakis(bromomethyl)- (9CI)
CAS Number:
116129-61-4
Molecular Formula:
C22H18Br4
Molecular Weight:
601.9943
IUPAC Name:
2-[3-[2,6-bis(bromomethyl)phenyl]phenyl]-1,3-bis(bromomethyl)benzene
InChI:
InChI=1S/C22H18Br4/c23-11-17-6-2-7-18(12-24)21(17)15-4-1-5-16(10-15)22-19(13-25)8-3-9-20(22)14-26/h1-10H,11-14H2
InChI Key:
JLXQRMVKTNNZDF-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1c1cccc(c1)c1c(CBr)cccc1CBr)CBr

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
601.81g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.002g/mol
Monoisotopic Mass:
597.814g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  

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