AB48031
850567-22-5 | 3-(N-Propylaminocarbonyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48031
ChemicalName
3-(N-Propylaminocarbonyl)phenylboronic acid
CasNumber
850567-22-5
MolecularFormula
C10H14BNO3
MolecularWeight
207.0341
MdlNumber
MFCD04038919
Smiles
CCCNC(=O)c1cccc(c1)B(O)O
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
4
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CatalogNumber: AB48031
ChemicalName: 3-(N-Propylaminocarbonyl)phenylboronic acid
CasNumber: 850567-22-5
MolecularFormula: C10H14BNO3
MolecularWeight: 207.0341
MdlNumber: MFCD04038919
Smiles: CCCNC(=O)c1cccc(c1)B(O)O
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AB48031
ChemicalName:
3-(N-Propylaminocarbonyl)phenylboronic acid
CasNumber:
850567-22-5
MolecularFormula:
C10H14BNO3
MolecularWeight:
207.0341
MdlNumber:
MFCD04038919
Smiles:
CCCNC(=O)c1cccc(c1)B(O)O
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)c[n+](c(c1C)C)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)c[n+](c(c1C)C)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB48033
ChemicalName: 2-((6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
CasNumber: 865758-95-8
MolecularFormula: C12H8ClN3O2
MolecularWeight: 261.6638
MdlNumber: MFCD09907853
Smiles: N#Cc1ccccc1Cn1c(Cl)cc(=O)[nH]c1=O
Complexity: 452
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB48033
ChemicalName:
2-((6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
CasNumber:
865758-95-8
MolecularFormula:
C12H8ClN3O2
MolecularWeight:
261.6638
MdlNumber:
MFCD09907853
Smiles:
N#Cc1ccccc1Cn1c(Cl)cc(=O)[nH]c1=O
Complexity:
452
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AB48034
ChemicalName: Methyl 2-chlorothiazole-4-carboxylate
CasNumber: 850429-61-7
MolecularFormula: C5H4ClNO2S
MolecularWeight: 177.6088
MdlNumber: MFCD06659909
Smiles: COC(=O)c1csc(n1)Cl
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AB48034
ChemicalName:
Methyl 2-chlorothiazole-4-carboxylate
CasNumber:
850429-61-7
MolecularFormula:
C5H4ClNO2S
MolecularWeight:
177.6088
MdlNumber:
MFCD06659909
Smiles:
COC(=O)c1csc(n1)Cl
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2