| CAS Number | 1003865-65-3 |
| Catalog Number | AG01A52F(AGN-PC-0WAJL8) |
| Chemical Name | 4-(difluoromethoxy)-3-fluoroaniline |
| IUPAC Name | 4-(difluoromethoxy)-3-fluoroaniline |
| InChI | InChI=1S/C7H6F3NO/c8-5-3-4(11)1-2-6(5)12-7(9)10/h1-3,7H,11H2 |
| InChI Key | DOGBVIAOAPGSKZ-UHFFFAOYSA-N |
| MDL Number | MFCD11621754 |
| Molecular Formula | C7H6F3NO |
| Molecular Weight | 177.1238 |
| SMILES | NC1=CC=C(OC(F)F)C=C1F |
| Synonyms | 4-(difluoromethoxy)-3-fluoroaniline,
83190-01-6,
4-Difluoromethoxy-3-fluoroaniline,
1003865-65-3,
AC1Q51OQ,
SCHEMBL11049484,
CTK7B7459,
3-fluoro-4-difluoromethoxyaniline,
DOGBVIAOAPGSKZ-UHFFFAOYSA-N,
MFCD11621754,
ZINC36379453,
AKOS009403479,
NE15217,
PS-11612,
CS-0060019,
EN300-45155,
Z1925961404,
3-(difluoromethoxy)-4-fluoroaniline,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.126g/mol |
| Monoisotopic Mass | 177.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number