AI31718
1351502-30-1 | 3-Cyano-4-pyrrolidinophenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI31718
ChemicalName
3-Cyano-4-pyrrolidinophenylboronic acid pinacol ester
CasNumber
1351502-30-1
MolecularFormula
C17H23BN2O2
MolecularWeight
298.1877
MdlNumber
MFCD28148076
Smiles
N#Cc1cc(ccc1N1CCCC1)B1OC(C(O1)(C)C)(C)C
Complexity
449
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
RotatableBondCount
2
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CatalogNumber: AI31718
ChemicalName: 3-Cyano-4-pyrrolidinophenylboronic acid pinacol ester
CasNumber: 1351502-30-1
MolecularFormula: C17H23BN2O2
MolecularWeight: 298.1877
MdlNumber: MFCD28148076
Smiles: N#Cc1cc(ccc1N1CCCC1)B1OC(C(O1)(C)C)(C)C
Complexity: 449
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
CatalogNumber:
AI31718
ChemicalName:
3-Cyano-4-pyrrolidinophenylboronic acid pinacol ester
CasNumber:
1351502-30-1
MolecularFormula:
C17H23BN2O2
MolecularWeight:
298.1877
MdlNumber:
MFCD28148076
Smiles:
N#Cc1cc(ccc1N1CCCC1)B1OC(C(O1)(C)C)(C)C
Complexity:
449
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc2c(n1)cncc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc2c(n1)cncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AI31722
ChemicalName: 4-Chloro-2-fluoro-3-methylphenol
CasNumber: 1351668-24-0
MolecularFormula: C7H6ClFO
MolecularWeight: 160.5733
MdlNumber: MFCD20526390
Smiles: Clc1ccc(c(c1C)F)O
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
CatalogNumber:
AI31722
ChemicalName:
4-Chloro-2-fluoro-3-methylphenol
CasNumber:
1351668-24-0
MolecularFormula:
C7H6ClFO
MolecularWeight:
160.5733
MdlNumber:
MFCD20526390
Smiles:
Clc1ccc(c(c1C)F)O
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(C)c(c(c1)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(C)c(c(c1)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__