| CAS Number | 39241-02-6 |
| Catalog Number | AG00C85M(AGN-PC-0K2DAY) |
| Chemical Name | N-(3-Bromophenyl)isobutyramide |
| IUPAC Name | N-(3-bromophenyl)-2-methylpropanamide |
| InChI | InChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13) |
| InChI Key | NKBABBOSWOTEAD-UHFFFAOYSA-N |
| MDL Number | MFCD01214249 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | C(C(C)C)(=O)NC1C=CC=C(Br)C=1 |
| Synonyms | N-(3-bromophenyl)-2-methylpropanamide,
39241-02-6,
N-(3-Bromophenyl)isobutyramide,
metabromo isobutyranilide,
AC1LO709,
SCHEMBL14519972,
CTK4I1169,
DTXSID10361215,
NKBABBOSWOTEAD-UHFFFAOYSA-N,
ZINC1016956,
MFCD01214249,
STL260127,
AKOS000178504,
MCULE-6200187269,
AJ-24673,
W-8129,
AO-548/11635894,
Z27788947,
C10H12BrNO,
ZINC01016956,
CID1234458,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.116g/mol |
| Monoisotopic Mass | 241.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number