AA03897
1009094-73-8 | 3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA03897
ChemicalName
3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CasNumber
1009094-73-8
MolecularFormula
C13H18BNO4
MolecularWeight
263.0973
MdlNumber
MFCD22494865
Smiles
Nc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity
356
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AA03897
ChemicalName: 3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CasNumber: 1009094-73-8
MolecularFormula: C13H18BNO4
MolecularWeight: 263.0973
MdlNumber: MFCD22494865
Smiles: Nc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AA03897
ChemicalName:
3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CasNumber:
1009094-73-8
MolecularFormula:
C13H18BNO4
MolecularWeight:
263.0973
MdlNumber:
MFCD22494865
Smiles:
Nc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: AA03898
ChemicalName: 3-Bromo-5-fluoro-2-methoxybenzaldehyde
CasNumber: 1009093-60-0
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344
MdlNumber: MFCD11520672
Smiles: O=Cc1cc(F)cc(c1OC)Br
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AA03898
ChemicalName:
3-Bromo-5-fluoro-2-methoxybenzaldehyde
CasNumber:
1009093-60-0
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344
MdlNumber:
MFCD11520672
Smiles:
O=Cc1cc(F)cc(c1OC)Br
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@@H](c1ccccc1)O)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@@H](c1ccccc1)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1c(Br)cccc1C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1c(Br)cccc1C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__