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124750-51-2 | 5-[4-(Bromomethyl)-1,1-Biphenyl-2-yl]-1-Triphenylmethyl-1H-Tetrazole
CAS No: 124750-51-2 Catalog No: AG00346E MDL No:MFCD00665221
Product Description
Catalog Number:
AG00346E
Chemical Name:
5-[4-(Bromomethyl)-1,1-Biphenyl-2-yl]-1-Triphenylmethyl-1H-Tetrazole
CAS Number:
124750-51-2
Molecular Formula:
C33H25BrN4
Molecular Weight:
557.4824
MDL Number:
MFCD00665221
IUPAC Name:
5-[2-[4-(bromomethyl)phenyl]phenyl]-1-trityltetrazole
InChI:
InChI=1S/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2
InChI Key:
ZTFVTXDWDFIQEU-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
EC Number:
603-010-9
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.126g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
557.495g/mol
Monoisotopic Mass:
556.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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