| CAS Number | 17090-15-2 |
| Catalog Number | AG00ASHK(AGN-PC-0NJATC) |
| Chemical Name | 3-nitro-N-acrylphenylamine |
| IUPAC Name | N-(3-nitrophenyl)prop-2-enamide |
| InChI | InChI=1S/C9H8N2O3/c1-2-9(12)10-7-4-3-5-8(6-7)11(13)14/h2-6H,1H2,(H,10,12) |
| InChI Key | PJASPDPXLKIZHB-UHFFFAOYSA-N |
| MDL Number | MFCD00595891 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | C=CC(NC1=CC=CC([N+]([O-])=O)=C1)=O |
| Synonyms | N-(3-nitrophenyl)acrylamide,
17090-15-2,
3-nitro-N-acrylphenylamine,
n-(3-nitro-phenyl)-acrylamide,
N-propenoyl-3-nitroaniline,
N-(3-nitrophenyl)-acrylamide,
SCHEMBL5149342,
KS-00000TEK,
PJASPDPXLKIZHB-UHFFFAOYSA-N,
MFCD00595891,
ZINC36334296,
AKOS009808898,
AM87606,
AK201130,
DA-43534,
DS-10252,
FT-0710717,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number