| CAS Number | 70873-41-5 |
| Catalog Number | AG00FFND(AGN-PC-0NKOA0) |
| Chemical Name | 4'-Bromo-2-nitro-biphenyl |
| IUPAC Name | 4-bromo-2-nitro-1-phenylbenzene |
| InChI | InChI=1S/C12H8BrNO2/c13-10-6-7-11(12(8-10)14(15)16)9-4-2-1-3-5-9/h1-8H |
| InChI Key | GTJFRSVWOUWTDJ-UHFFFAOYSA-N |
| MDL Number | MFCD18906612 |
| Molecular Formula | C12H8BrNO2 |
| Molecular Weight | 278.1014 |
| SMILES | O=[N+](C1=CC(Br)=CC=C1C2=CC=CC=C2)[O-] |
| Synonyms | 4-bromo-2-nitrobiphenyl,
70873-41-5,
1,1'-Biphenyl, 4-bromo-2-nitro-,
4-BRomo-2-nitro-biphenyl,
4'-Bromo-2-nitro-biphenyl,
SCHEMBL100456,
4-Bromo-2-nitro-1-phenylbenzene,
GTJFRSVWOUWTDJ-UHFFFAOYSA-N,
MFCD18906612,
ZINC34628220,
AKOS027470529,
CS-0060502,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.105g/mol |
| Monoisotopic Mass | 276.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number