| CAS Number | 1314390-34-5 |
| Catalog Number | AG000W6F(AGN-PC-0WANHN) |
| Chemical Name | Carbamic acid, N-(2-bromo-5-pyrimidinyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(2-bromopyrimidin-5-yl)carbamate |
| InChI | InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-6-4-11-7(10)12-5-6/h4-5H,1-3H3,(H,13,14) |
| InChI Key | DCZMUYVBEYQGFQ-UHFFFAOYSA-N |
| MDL Number | MFCD26403153 |
| Molecular Formula | C9H12BrN3O2 |
| Molecular Weight | 274.1145 |
| SMILES | O=C(OC(C)(C)C)NC1=CN=C(Br)N=C1 |
| Synonyms | tert-butyl (2-bromopyrimidin-5-yl)carbamate,
1314390-34-5,
AK165024,
Carbamic acid, N-(2-bromo-5-pyrimidinyl)-, 1,1-dimethylethyl ester,
tert-butyl 2-bromopyrimidin-5-ylcarbamate,
SCHEMBL12517613,
KS-00000STI,
DCZMUYVBEYQGFQ-UHFFFAOYSA-N,
MFCD26403153,
AKOS025147197,
ZINC222938501,
DS-8860,
FCH2494997,
DA-12500,
FT-0747844,
TERT-BUTYL N-(2-BROMOPYRIMIDIN-5-YL)CARBAMATE,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.118g/mol |
| Monoisotopic Mass | 273.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number