| CAS Number | 74157-47-4 |
| Catalog Number | AG00FEM5(AGN-PC-0U4KQ1) |
| Chemical Name | 1-(3-Bromophenyl)propan-1-ol |
| IUPAC Name | 1-(3-bromophenyl)propan-1-ol |
| InChI | InChI=1S/C9H11BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3 |
| InChI Key | NFRBOGHEHVPWKF-UHFFFAOYSA-N |
| MDL Number | MFCD08443305 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | CCC(C1=CC(=CC=C1)Br)O |
| Synonyms | 1-(3-bromophenyl)propan-1-ol,
74157-47-4,
1-(3-Bromophenyl)-1-propanol,
AC1Q2SKX,
1-(3-bromophenyl)propanol,
SCHEMBL6683467,
CTK6C8327,
NFRBOGHEHVPWKF-UHFFFAOYSA-N,
AKOS000126583,
AKOS022305423,
MCULE-7786691537,
NE29116,
FT-0721190,
EN300-67249,
Z228586280,
CID11790580,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number