| CAS Number | 1375064-68-8 |
| Catalog Number | AG0013ER(AGN-PC-0HBU9R) |
| Chemical Name | Benzoic acid, 2-amino-4-(1H-pyrazol-1-yl)-, ethyl ester |
| IUPAC Name | ethyl 2-amino-4-pyrazol-1-ylbenzoate |
| InChI | InChI=1S/C12H13N3O2/c1-2-17-12(16)10-5-4-9(8-11(10)13)15-7-3-6-14-15/h3-8H,2,13H2,1H3 |
| InChI Key | SRCSLEISLZCLAM-UHFFFAOYSA-N |
| MDL Number | MFCD22205850 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | O=C(OCC)C1=CC=C(N2N=CC=C2)C=C1N |
| Synonyms | Ethyl 2-Amino-4-(1-pyrazolyl)benzoate,
1375064-68-8,
SCHEMBL1969115,
KS-00000BOP,
6685AJ,
MFCD22205850,
ZINC90470755,
AKOS025404340,
Ethyl2-Amino-4-(1-pyrazolyl)benzoate,
TRA0024345,
AS-32547,
SY019387,
TC-308193,
Z-4536,
MFCD22205850 (97+%),
Benzoic acid, 2-amino-4-(1H-pyrazol-1-yl)-, ethyl ester,
C12H13N3O2,
64248-62-0,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number