| CAS Number | 906673-54-9 |
| Catalog Number | AG0039DS(AGN-PC-0WANFY) |
| Chemical Name | 4-(4-bromo-3-formylphenoxy)Benzonitrile |
| EC Number | 822-547-1 |
| IUPAC Name | 4-(4-bromo-3-formylphenoxy)benzonitrile |
| InChI | InChI=1S/C14H8BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,9H |
| InChI Key | IEHZPKWXBVTRRG-UHFFFAOYSA-N |
| MDL Number | MFCD23131224 |
| Molecular Formula | C14H8BrNO2 |
| Molecular Weight | 302.1228 |
| SMILES | BrC1=C(C=C(OC2=CC=C(C#N)C=C2)C=C1)C=O |
| Synonyms | 4-(4-Bromo-3-formylphenoxy)benzonitrile,
906673-54-9,
4-(4-BROMO-3-FORMYL-PHENOXY)-BENZONITRILE,
SCHEMBL18809237,
KS-00000SON,
BCP24263,
MFCD23131224,
AKOS027324075,
ZINC504454863,
AC-30403,
AK316794,
DS-11464,
FT-0700763,
A1-03609,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.127g/mol |
| Monoisotopic Mass | 300.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number