Basic information
- CAS
51-58-1- Standard SMILES
Cl.NC(N)=NC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
DPAWTAYKXUVQSN-UHFFFAOYSA-N- Molecular formula
- C8H10ClN5O3
- Average molar mass
- 259.65 g/mol
- Monoisotopic mass
- 259.0472169
Names & identifiers
- Preferred name
- Nitroguanil
- IUPAC
- 1-(diaminomethylidene)-3-(4-nitrophenyl)urea;hydrochloride
Names & synonyms
NITROGUANILUNII-PRJ0MY312PPRJ0MY312PUrea, 1-amidino-3-(p-nitrophenyl)-, monohydrochlorideNSC 568663-(p-Nitrophenyl)-1-amidinourea hydrochloride1-p-Nitrophenyl-3-amidinourea hydrochloride3-Amidino-1-p-nitrophenylurea hydrochlorideN-(Aminoiminomethyl)-N'-(4-nitrophenyl)urea monohydrochlorideDTXSID701018910Urea, N-(aminoiminomethyl)-N'-(4-nitrophenyl)-, monohydrochlorideNSC-56866
Show more names
UREA, 1-AMIDINO-3-(P-NITROPHENYL)-, HYDROCHLORIDEUREA, N-(AMINOIMINOMETHYL)-N'-(4-NITROPHENYL)-, HYDROCHLORIDE (1:1)RefChem:166103DTXCID601476925Urea, N-(aminoiminomethyl)-N'-(4-nitrophenyl)-, monohydrochloride (9CI)51-58-11-(diaminomethylidene)-3-(4-nitrophenyl)urea;hydrochlorideT 72
Database identifiers
- CAS
51-58-1- PubChem CID
- 5822
- DTXSID
DTXSID701018910- UNII
- PRJ0MY312P
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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