Home Halogens 3-bromo-5-(bromomethyl)-6-nitro-1-tritylindazole

3-bromo-5-(bromomethyl)-6-nitro-1-tritylindazole

CAS No.:
1695537-84-8
Catalog Number:
AG01DH2I
Molecular Formula:
C27H19Br2N3O2
Molecular Weight:
577.2667
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Product Description
Catalog Number:
AG01DH2I
Chemical Name:
3-bromo-5-(bromomethyl)-6-nitro-1-tritylindazole
CAS Number:
1695537-84-8
Molecular Formula:
C27H19Br2N3O2
Molecular Weight:
577.2667
MDL Number:
MFCD29059374
IUPAC Name:
3-bromo-5-(bromomethyl)-6-nitro-1-tritylindazole
InChI:
InChI=1S/C27H19Br2N3O2/c28-18-19-16-23-25(17-24(19)32(33)34)31(30-26(23)29)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17H,18H2
InChI Key:
FGULZLMVWDAETK-UHFFFAOYSA-N
SMILES:
BrCc1cc2c(Br)nn(c2cc1[N+](=O)[O-])C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
640  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.982g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
577.276g/mol
Monoisotopic Mass:
574.984g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8  
Properties