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70634-28-5 | 3-TERT-BUTYL-4-NITROBIPHENYL
CAS No: 70634-28-5 Catalog No: AG00FU70 MDL No:
Product Description
Catalog Number:
AG00FU70
Chemical Name:
3-TERT-BUTYL-4-NITROBIPHENYL
CAS Number:
70634-28-5
IUPAC Name:
2-tert-butyl-1-nitro-4-phenylbenzene
InChI:
InChI=1S/C16H17NO2/c1-16(2,3)14-11-13(9-10-15(14)17(18)19)12-7-5-4-6-8-12/h4-11H,1-3H3
InChI Key:
OJGOKBGRPKCDBD-UHFFFAOYSA-N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Mutagenicity in Salmonella typhimurium TA98 and TA100 of nitroso and respective hydroxylamine compounds. | Mutation research 20010405 |
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