AD13461
66176-17-8 | 3-Methylisatoic anhydride
Manufacturer: A2B Chem
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CatalogNumber
AD13461
ChemicalName
3-Methylisatoic anhydride
CasNumber
66176-17-8
MolecularFormula
C9H7NO3
MolecularWeight
177.1568
MdlNumber
MFCD03426399
Smiles
O=c1oc(=O)c2c([nH]1)c(C)ccc2
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
1.4
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CatalogNumber: AD13461
ChemicalName: 3-Methylisatoic anhydride
CasNumber: 66176-17-8
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD03426399
Smiles: O=c1oc(=O)c2c([nH]1)c(C)ccc2
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 1.4
CatalogNumber:
AD13461
ChemicalName:
3-Methylisatoic anhydride
CasNumber:
66176-17-8
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD03426399
Smiles:
O=c1oc(=O)c2c([nH]1)c(C)ccc2
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
1.4
CatalogNumber: AD13472
ChemicalName: 2-[4-(Trifluoromethyl)phenyl]benzonitrile
CasNumber: 91748-21-9
MolecularFormula: C14H8F3N
MolecularWeight: 247.2152
MdlNumber: MFCD03412288
Smiles: N#Cc1ccccc1c1ccc(cc1)C(F)(F)F
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
Xlogp3: 4.2
CatalogNumber:
AD13472
ChemicalName:
2-[4-(Trifluoromethyl)phenyl]benzonitrile
CasNumber:
91748-21-9
MolecularFormula:
C14H8F3N
MolecularWeight:
247.2152
MdlNumber:
MFCD03412288
Smiles:
N#Cc1ccccc1c1ccc(cc1)C(F)(F)F
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccccc1c1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccccc1c1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc(ccc1C(=O)OC)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc(ccc1C(=O)OC)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__