AB50653
850589-46-7 | 3-Chloro-4-(N-tert-butylcarbamoyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50653
ChemicalName
3-Chloro-4-(N-tert-butylcarbamoyl)phenylboronic acid
CasNumber
850589-46-7
MolecularFormula
C11H15BClNO3
MolecularWeight
255.5057
MdlNumber
MFCD07363771
Smiles
O=C(c1ccc(cc1Cl)B(O)O)NC(C)(C)C
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AB50653
ChemicalName: 3-Chloro-4-(N-tert-butylcarbamoyl)phenylboronic acid
CasNumber: 850589-46-7
MolecularFormula: C11H15BClNO3
MolecularWeight: 255.5057
MdlNumber: MFCD07363771
Smiles: O=C(c1ccc(cc1Cl)B(O)O)NC(C)(C)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB50653
ChemicalName:
3-Chloro-4-(N-tert-butylcarbamoyl)phenylboronic acid
CasNumber:
850589-46-7
MolecularFormula:
C11H15BClNO3
MolecularWeight:
255.5057
MdlNumber:
MFCD07363771
Smiles:
O=C(c1ccc(cc1Cl)B(O)O)NC(C)(C)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CNC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CNC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB50655
ChemicalName: Ethyl 3-((1,3-dioxolan-2-yl)methoxy)benzoate
CasNumber: 850348-88-8
MolecularFormula: C13H16O5
MolecularWeight: 252.2631
MdlNumber: MFCD06657701
Smiles: CCOC(=O)c1cccc(c1)OCC1OCCO1
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 6
CatalogNumber:
AB50655
ChemicalName:
Ethyl 3-((1,3-dioxolan-2-yl)methoxy)benzoate
CasNumber:
850348-88-8
MolecularFormula:
C13H16O5
MolecularWeight:
252.2631
MdlNumber:
MFCD06657701
Smiles:
CCOC(=O)c1cccc(c1)OCC1OCCO1
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
6
CatalogNumber: AB50656
ChemicalName: 3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide
CasNumber: 85622-93-1
MolecularFormula: C6H6N6O2
MolecularWeight: 194.1508
MdlNumber: MFCD00866492
Smiles: NC(=O)c1ncn2c1nnn(c2=O)C
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB50656
ChemicalName:
3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide
CasNumber:
85622-93-1
MolecularFormula:
C6H6N6O2
MolecularWeight:
194.1508
MdlNumber:
MFCD00866492
Smiles:
NC(=O)c1ncn2c1nnn(c2=O)C
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1