| CAS Number | 1156928-67-4 |
| Catalog Number | AG000GR0(AGN-PC-06S1EA) |
| Chemical Name | 1H-Benzimidazol-2-amine, 5-fluoro-1-methyl- |
| IUPAC Name | 5-fluoro-1-methylbenzimidazol-2-amine |
| InChI | InChI=1S/C8H8FN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11) |
| InChI Key | XURFLYNSPWZPFW-UHFFFAOYSA-N |
| MDL Number | MFCD11215483 |
| Molecular Formula | C8H8FN3 |
| Molecular Weight | 165.1676 |
| SMILES | CN1C2=C(C=C(C=C2)F)N=C1N |
| Synonyms | 2-Amino-5-fluoro-1-methylbenzimidazole,
1156928-67-4,
5-fluoro-1-methyl-1H-1,3-benzodiazol-2-amine,
SCHEMBL2857719,
6360AJ,
ZINC36899016,
AKOS009854238,
MCULE-9937546219,
NE24781,
SY027890,
MFCD11215483 (95%),
1H-Benzimidazol-2-amine, 5-fluoro-1-methyl-,
Z1270446322,
C8H8FN3,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.171g/mol |
| Monoisotopic Mass | 165.07g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number