| CAS Number | 886362-83-0 |
| Catalog Number | AG0049MB(AGN-PC-0VMVHE) |
| Chemical Name | 1-(4-Bromophenyl)-1-(4-hydroxyphenyl)methylamine |
| IUPAC Name | 4-[amino-(4-bromophenyl)methyl]phenol |
| InChI | InChI=1S/C13H12BrNO/c14-11-5-1-9(2-6-11)13(15)10-3-7-12(16)8-4-10/h1-8,13,16H,15H2 |
| InChI Key | COTBFWYVJVSILN-UHFFFAOYSA-N |
| MDL Number | MFCD04115329 |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.1445 |
| SMILES | BrC1C=CC(=CC=1)C(C1C=CC(=CC=1)O)N |
| Synonyms | 886362-83-0,
1-(4-Bromophenyl)-1-(4-hydroxyphenyl)methylamine,
4-(amino(4-bromophenyl)methyl)phenol,
4-[AMINO(4-BROMOPHENYL)METHYL]PHENOL,
CTK5G0959,
DTXSID60661419,
MFCD04115329,
Phenol,4-[amino(4-bromophenyl)methyl]-,
AS-38547,
4-[amino-(4-bromo-phenyl)-methyl]-phenol,
AX8036397,
DB-013081,
RT-006043,
FT-0709937,
A12979,
X-3736,
1-Acetylpiperidine-4-carboxylic acid,
25503-90-6,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.149g/mol |
| Monoisotopic Mass | 277.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number