AA55131
1220630-86-3 | 3-Amino-4-(trifluoromethoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA55131
ChemicalName
3-Amino-4-(trifluoromethoxy)benzonitrile
CasNumber
1220630-86-3
MolecularFormula
C8H5F3N2O
MolecularWeight
202.1333
MdlNumber
MFCD09745166
Smiles
N#Cc1ccc(c(c1)N)OC(F)(F)F
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AA55131
ChemicalName: 3-Amino-4-(trifluoromethoxy)benzonitrile
CasNumber: 1220630-86-3
MolecularFormula: C8H5F3N2O
MolecularWeight: 202.1333
MdlNumber: MFCD09745166
Smiles: N#Cc1ccc(c(c1)N)OC(F)(F)F
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AA55131
ChemicalName:
3-Amino-4-(trifluoromethoxy)benzonitrile
CasNumber:
1220630-86-3
MolecularFormula:
C8H5F3N2O
MolecularWeight:
202.1333
MdlNumber:
MFCD09745166
Smiles:
N#Cc1ccc(c(c1)N)OC(F)(F)F
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(c(c1)N)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(c(c1)N)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCc1ccnc(c1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCc1ccnc(c1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AA55134
ChemicalName: 2-(Benzyloxy)-5-t-butylphenylboronic acid
CasNumber: 1220625-04-6
MolecularFormula: C17H21BO3
MolecularWeight: 284.1578
MdlNumber: MFCD18383785
Smiles: OB(c1cc(ccc1OCc1ccccc1)C(C)(C)C)O
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AA55134
ChemicalName:
2-(Benzyloxy)-5-t-butylphenylboronic acid
CasNumber:
1220625-04-6
MolecularFormula:
C17H21BO3
MolecularWeight:
284.1578
MdlNumber:
MFCD18383785
Smiles:
OB(c1cc(ccc1OCc1ccccc1)C(C)(C)C)O
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
__