| CAS Number | 1312949-21-5 |
| Catalog Number | AG000VVH(AGN-PC-0WCKKP) |
| Chemical Name | 5-(Boc-amino)-3-chloro-1-methyl-1H-pyrazole |
| IUPAC Name | tert-butyl N-(5-chloro-2-methylpyrazol-3-yl)carbamate |
| InChI | InChI=1S/C9H14ClN3O2/c1-9(2,3)15-8(14)11-7-5-6(10)12-13(7)4/h5H,1-4H3,(H,11,14) |
| InChI Key | QZGMVMPHSSPPJN-UHFFFAOYSA-N |
| MDL Number | MFCD22573940 |
| Molecular Formula | C9H14ClN3O2 |
| Molecular Weight | 231.6794 |
| SMILES | O=C(OC(C)(C)C)NC1=CC(Cl)=NN1C |
| Synonyms | 1312949-21-5,
5-(BOC-AMINO)-3-CHLORO-1-METHYL-1H-PYRAZOLE,
tert-Butyl (3-chloro-1-methyl-1H-pyrazol-5-yl)carbamate,
tert-butyl N-(3-chloro-1-methyl-1H-pyrazol-5-yl)carbamate,
Carbamic acid, N-(3-chloro-1-methyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester,
SCHEMBL6845100,
QZGMVMPHSSPPJN-UHFFFAOYSA-N,
MFCD22573940,
ZINC91691964,
FCH1664756,
PB36131,
SB10866,
AS-38353,
AJ-131888,
AX8266942,
CS-0053986,
X-2754,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.68g/mol |
| Monoisotopic Mass | 231.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number