1-(3-Nitrophenyl)urea - CAS 13142-61-5
Catalog: |
BB054680 |
Product Name: |
1-(3-Nitrophenyl)urea |
CAS: |
13142-61-5 |
Synonyms: |
N-(3-nitrophenyl)urea; N-(m-nitrophenyl)urea; N-3-nitrophenylurea; 3-(3-nitrophenyl)urea; Urea, N-(3-nitrophenyl)- |
IUPAC Name: | (3-nitrophenyl)urea |
Molecular Weight: | 181.15 |
Molecular Formula: | C7H7N3O3 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)N |
InChI: | InChI=1S/C7H7N3O3/c8-7(11)9-5-2-1-3-6(4-5)10(12)13/h1-4H,(H3,8,9,11) |
InChI Key: | UUIRARUHMZIJCV-UHFFFAOYSA-N |
Boiling Point: | 315.6±25.0°C (Predicted) |
Melting Point: | 133-134°C |
Purity: | ≥95% |
Density: | 1.490±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.04874109 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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