tert-Butyl (2-chloro-5-methylpyridin-3-yl)methylcarbamate - CAS 1203499-18-6
Catalog: |
BB004801 |
Product Name: |
tert-Butyl (2-chloro-5-methylpyridin-3-yl)methylcarbamate |
CAS: |
1203499-18-6 |
Synonyms: |
tert-butyl N-[(2-chloro-5-methylpyridin-3-yl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(2-chloro-5-methylpyridin-3-yl)methyl]carbamate |
Description: | tert-Butyl (2-chloro-5-methylpyridin-3-yl)methylcarbamate (CAS# 1203499-18-6) is a useful research chemical. |
Molecular Weight: | 256.73 |
Molecular Formula: | C12H17ClN2O2 |
Canonical SMILES: | CC1=CC(=C(N=C1)Cl)CNC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H17ClN2O2/c1-8-5-9(10(13)14-6-8)7-15-11(16)17-12(2,3)4/h5-6H,7H2,1-4H3,(H,15,16) |
InChI Key: | DIYYANPBWDNVPF-UHFFFAOYSA-N |
MDL: | MFCD13563064 |
LogP: | 3.45900 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.0978555 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.0978555 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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