AA54578
1218790-58-9 | 3-(2-Cyanoethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54578
ChemicalName
3-(2-Cyanoethyl)phenylboronic acid
CasNumber
1218790-58-9
MolecularFormula
C9H10BNO2
MolecularWeight
174.9922
MdlNumber
MFCD15143461
Smiles
N#CCCc1cccc(c1)B(O)O
Complexity
199
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AA54578
ChemicalName: 3-(2-Cyanoethyl)phenylboronic acid
CasNumber: 1218790-58-9
MolecularFormula: C9H10BNO2
MolecularWeight: 174.9922
MdlNumber: MFCD15143461
Smiles: N#CCCc1cccc(c1)B(O)O
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AA54578
ChemicalName:
3-(2-Cyanoethyl)phenylboronic acid
CasNumber:
1218790-58-9
MolecularFormula:
C9H10BNO2
MolecularWeight:
174.9922
MdlNumber:
MFCD15143461
Smiles:
N#CCCc1cccc(c1)B(O)O
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cccc(c1F)c1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1cccc(c1F)c1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cncc(c1)N1CCCC1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1cncc(c1)N1CCCC1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA54581
ChemicalName: 2-Carbamoyl-4-(trifluoromethyl)phenylboronic acid
CasNumber: 1218790-55-6
MolecularFormula: C8H7BF3NO3
MolecularWeight: 232.9523
MdlNumber: MFCD13195676
Smiles: NC(=O)c1cc(ccc1B(O)O)C(F)(F)F
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AA54581
ChemicalName:
2-Carbamoyl-4-(trifluoromethyl)phenylboronic acid
CasNumber:
1218790-55-6
MolecularFormula:
C8H7BF3NO3
MolecularWeight:
232.9523
MdlNumber:
MFCD13195676
Smiles:
NC(=O)c1cc(ccc1B(O)O)C(F)(F)F
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
2