AA69620
142167-36-0 | 2-Hydroxy-5-trifluoromethylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA69620
ChemicalName
2-Hydroxy-5-trifluoromethylbenzonitrile
CasNumber
142167-36-0
MolecularFormula
C8H4F3NO
MolecularWeight
187.1187
MdlNumber
MFCD11213679
Smiles
N#Cc1cc(ccc1O)C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
Xlogp3
2.7
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CatalogNumber: AA69620
ChemicalName: 2-Hydroxy-5-trifluoromethylbenzonitrile
CasNumber: 142167-36-0
MolecularFormula: C8H4F3NO
MolecularWeight: 187.1187
MdlNumber: MFCD11213679
Smiles: N#Cc1cc(ccc1O)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
Xlogp3: 2.7
CatalogNumber:
AA69620
ChemicalName:
2-Hydroxy-5-trifluoromethylbenzonitrile
CasNumber:
142167-36-0
MolecularFormula:
C8H4F3NO
MolecularWeight:
187.1187
MdlNumber:
MFCD11213679
Smiles:
N#Cc1cc(ccc1O)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
Xlogp3:
2.7
CatalogNumber: AA69621
ChemicalName: 3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
CasNumber: 142166-01-6
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD11848180
Smiles: COC(=O)c1ccc2c(c1)OCCN2
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 1.5
CatalogNumber:
AA69621
ChemicalName:
3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
CasNumber:
142166-01-6
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD11848180
Smiles:
COC(=O)c1ccc2c(c1)OCCN2
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
1.5
CatalogNumber: AA69622
ChemicalName: Methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate
CasNumber: 142166-00-5
MolecularFormula: C10H9NO4
MolecularWeight: 207.1828
MdlNumber: MFCD07774184
Smiles: COC(=O)c1ccc2c(c1)OCC(=O)N2
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 0.7
CatalogNumber:
AA69622
ChemicalName:
Methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate
CasNumber:
142166-00-5
MolecularFormula:
C10H9NO4
MolecularWeight:
207.1828
MdlNumber:
MFCD07774184
Smiles:
COC(=O)c1ccc2c(c1)OCC(=O)N2
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
0.7
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Smiles: Cc1ncn(c1)c1ccc(cc1)C(=O)C
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Smiles:
Cc1ncn(c1)c1ccc(cc1)C(=O)C
Complexity:
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HydrogenBondAcceptorCount:
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