| CAS Number | 1157057-81-2 |
| Catalog Number | AG000GRM(AGN-PC-0WD4JY) |
| Chemical Name | 3-Fluoro-4-(methylamino)benzonitrile |
| IUPAC Name | 3-fluoro-4-(methylamino)benzonitrile |
| InChI | InChI=1S/C8H7FN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3 |
| InChI Key | SNOXQSJLHWBCBF-UHFFFAOYSA-N |
| MDL Number | MFCD11845638 |
| Molecular Formula | C8H7FN2 |
| Molecular Weight | 150.1530 |
| SMILES | CNC1=C(F)C=C(C#N)C=C1 |
| Synonyms | 3-fluoro-4-(methylamino)benzonitrile,
1157057-81-2,
AC1Q40W1,
SCHEMBL9232027,
CTK8E4461,
MFCD12109949,
ZINC37412526,
AKOS009852118,
NE57563,
AJ-93916,
AM807112,
AS-49506,
Benzonitrile, 3-fluoro-4-(methylamino)-,
TX-016738,
EN300-64707,
Z1465281763,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.156g/mol |
| Monoisotopic Mass | 150.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338-P304+P340
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UN Code
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Certificate of Analysis
Lot Number