| CAS Number | 69675-98-5 |
| Catalog Number | AG005J6I(AGN-PC-0JNUQU) |
| Chemical Name | (2-Amino-5-methylphenyl)phosphonic acid |
| IUPAC Name | (2-amino-5-methylphenyl)phosphonic acid |
| InChI | InChI=1S/C7H10NO3P/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11) |
| InChI Key | WFEPUKFABWDABK-UHFFFAOYSA-N |
| MDL Number | MFCD20699745 |
| Molecular Formula | C7H10NO3P |
| Molecular Weight | 187.1330 |
| NSC Number | 87208 |
| SMILES | Cc1ccc(c(c1)P(=O)(O)O)N |
| Synonyms | (2-amino-5-methylphenyl)phosphonic acid,
69675-98-5,
NSC87208,
AC1L5YSC,
AC1Q6RO1,
SCHEMBL17607326,
CTK5D0883,
DTXSID80293099,
ZINC1561716,
NSC-87208,
2-Amino-5-methylphenylphosphonic acid,
AKOS028111199,
(2-amino-5-methyl-phenyl)phosphonic acid,
KST-1A7682,
AR-1A2108,
CID258360,
70031-86-6,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.135g/mol |
| Monoisotopic Mass | 187.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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UN Code
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Certificate of Analysis
Lot Number