AA54601
1218790-84-1 | 2-Cyano-4-(trifluoromethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54601
ChemicalName
2-Cyano-4-(trifluoromethyl)phenylboronic acid
CasNumber
1218790-84-1
MolecularFormula
C8H5BF3NO2
MolecularWeight
214.937
MdlNumber
MFCD13195679
Smiles
N#Cc1cc(ccc1B(O)O)C(F)(F)F
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AA54601
ChemicalName: 2-Cyano-4-(trifluoromethyl)phenylboronic acid
CasNumber: 1218790-84-1
MolecularFormula: C8H5BF3NO2
MolecularWeight: 214.937
MdlNumber: MFCD13195679
Smiles: N#Cc1cc(ccc1B(O)O)C(F)(F)F
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AA54601
ChemicalName:
2-Cyano-4-(trifluoromethyl)phenylboronic acid
CasNumber:
1218790-84-1
MolecularFormula:
C8H5BF3NO2
MolecularWeight:
214.937
MdlNumber:
MFCD13195679
Smiles:
N#Cc1cc(ccc1B(O)O)C(F)(F)F
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AA54602
ChemicalName: 3-((Tetrahydrofuran-2-yl)methylcarbamoyl)phenylboronic acid
CasNumber: 1218790-83-0
MolecularFormula: C12H16BNO4
MolecularWeight: 249.0707
MdlNumber: MFCD12546614
Smiles: O=C(c1cccc(c1)B(O)O)NCC1CCCO1
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AA54602
ChemicalName:
3-((Tetrahydrofuran-2-yl)methylcarbamoyl)phenylboronic acid
CasNumber:
1218790-83-0
MolecularFormula:
C12H16BNO4
MolecularWeight:
249.0707
MdlNumber:
MFCD12546614
Smiles:
O=C(c1cccc(c1)B(O)O)NCC1CCCO1
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
CatalogNumber: AA54603
ChemicalName: 3-(4-(BOC-Piperazine-1-carbonyl)phenylboronic acid
CasNumber: 1218790-82-9
MolecularFormula: C16H23BN2O5
MolecularWeight: 334.1752
MdlNumber: MFCD12546575
Smiles: O=C(N1CCN(CC1)C(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Complexity: 458
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AA54603
ChemicalName:
3-(4-(BOC-Piperazine-1-carbonyl)phenylboronic acid
CasNumber:
1218790-82-9
MolecularFormula:
C16H23BN2O5
MolecularWeight:
334.1752
MdlNumber:
MFCD12546575
Smiles:
O=C(N1CCN(CC1)C(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Complexity:
458
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AA54604
ChemicalName: 3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenylboronic acid
CasNumber: 1218790-81-8
MolecularFormula: C15H20BNO5
MolecularWeight: 305.134
MdlNumber: MFCD12756423
Smiles: CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B(O)O
Complexity: 403
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AA54604
ChemicalName:
3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenylboronic acid
CasNumber:
1218790-81-8
MolecularFormula:
C15H20BNO5
MolecularWeight:
305.134
MdlNumber:
MFCD12756423
Smiles:
CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B(O)O
Complexity:
403
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5