AI57926
865869-30-3 | 4-(Trifluoromethyl)cyclohex-1-enylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57926
ChemicalName
4-(Trifluoromethyl)cyclohex-1-enylboronic acid
CasNumber
865869-30-3
MolecularFormula
C7H10BF3O2
MolecularWeight
193.9593
MdlNumber
MFCD18383329
Smiles
OB(C1=CCC(CC1)C(F)(F)F)O
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI57926
ChemicalName: 4-(Trifluoromethyl)cyclohex-1-enylboronic acid
CasNumber: 865869-30-3
MolecularFormula: C7H10BF3O2
MolecularWeight: 193.9593
MdlNumber: MFCD18383329
Smiles: OB(C1=CCC(CC1)C(F)(F)F)O
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI57926
ChemicalName:
4-(Trifluoromethyl)cyclohex-1-enylboronic acid
CasNumber:
865869-30-3
MolecularFormula:
C7H10BF3O2
MolecularWeight:
193.9593
MdlNumber:
MFCD18383329
Smiles:
OB(C1=CCC(CC1)C(F)(F)F)O
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
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Smiles: Brc1ccc2c(c1)[nH]nc2C(=O)OC(C)(C)C
Complexity: __
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Smiles:
Brc1ccc2c(c1)[nH]nc2C(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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Smiles: O=c1c2ccccc2nnn1C1CCNCC1
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Smiles:
O=c1c2ccccc2nnn1C1CCNCC1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=c1n(nnc2c1cccc2)C1CCN(CC1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=c1n(nnc2c1cccc2)C1CCN(CC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__