| CAS Number | 848819-82-9 |
| Catalog Number | AG004W9G(AGN-PC-063HG6) |
| Chemical Name | Methyl 4-(cyclopropylamino)-3-nitrobenzoate |
| IUPAC Name | methyl 4-(cyclopropylamino)-3-nitrobenzoate |
| InChI | InChI=1S/C11H12N2O4/c1-17-11(14)7-2-5-9(12-8-3-4-8)10(6-7)13(15)16/h2,5-6,8,12H,3-4H2,1H3 |
| InChI Key | YSAHAGVMRONZEL-UHFFFAOYSA-N |
| MDL Number | MFCD08448276 |
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.2240 |
| SMILES | COC(C1=CC([N+]([O-])=O)=C(NC2CC2)C=C1)=O |
| Synonyms | Methyl 4-(cyclopropylamino)-3-nitrobenzoate,
848819-82-9,
ACMC-209px7,
CTK8B2405,
DTXSID20654660,
ANW-37865,
KM2240,
ZINC11225170,
AJ-59746,
CJ-13633,
AX8243208,
TC-126610,
V7967,
Methyl 4-(cyclopropylamino)-3- nitrobenzoate,
C11H12N2O4,
Methyl4-(cyclopropylamino)-3-nitrobenzoate,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.227g/mol |
| Monoisotopic Mass | 236.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number