| CAS Number | 1031432-46-8 |
| Catalog Number | AG00962P |
| Chemical Name | N-(4-Bromo-2-pyridinyl)-N'-ethylurea |
| IUPAC Name | 1-(4-bromopyridin-2-yl)-3-ethylurea |
| InChI | InChI=1S/C8H10BrN3O/c1-2-10-8(13)12-7-5-6(9)3-4-11-7/h3-5H,2H2,1H3,(H2,10,11,12,13) |
| InChI Key | LHPFGBOKXFCNLJ-UHFFFAOYSA-N |
| MDL Number | MFCD23131204 |
| Molecular Formula | C8H10BrN3O |
| Molecular Weight | 244.0885 |
| SMILES | O=C(NCC)NC1=NC=CC(Br)=C1 |
| Synonyms | 1031432-46-8,
1-(4-bromopyridin-2-yl)-3-ethylurea,
N-(4-BroMopyridin-2-yl)-N-ethylurea,
N-(4-bromopyridin-2-yl)-N'-ethylurea,
Urea,N-(4-bromo-2-pyridinyl)-N'-ethyl-,
SCHEMBL1505643,
LHPFGBOKXFCNLJ-UHFFFAOYSA-N,
ZINC98175380,
AS-62784,
CS-0062071,
Urea, N-(4-bromo-2-pyridinyl)-N'-ethyl-,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.00072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.09g/mol |
| Monoisotopic Mass | 243.00072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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