AB69187
19463-48-0 | 3-Chloro-4-hydroxy-5-methoxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB69187
ChemicalName
3-Chloro-4-hydroxy-5-methoxybenzaldehyde
CasNumber
19463-48-0
MolecularFormula
C8H7ClO3
MolecularWeight
186.5924
MdlNumber
MFCD00016982
Smiles
COc1cc(C=O)cc(c1O)Cl
NscNumber
45929
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB69187
ChemicalName: 3-Chloro-4-hydroxy-5-methoxybenzaldehyde
CasNumber: 19463-48-0
MolecularFormula: C8H7ClO3
MolecularWeight: 186.5924
MdlNumber: MFCD00016982
Smiles: COc1cc(C=O)cc(c1O)Cl
NscNumber: 45929
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB69187
ChemicalName:
3-Chloro-4-hydroxy-5-methoxybenzaldehyde
CasNumber:
19463-48-0
MolecularFormula:
C8H7ClO3
MolecularWeight:
186.5924
MdlNumber:
MFCD00016982
Smiles:
COc1cc(C=O)cc(c1O)Cl
NscNumber:
45929
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCC[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)C2)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCC[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)C2)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB69189
ChemicalName: 5-Cyano-1,2-dimethylpyrrole-3-boronic acid, pinacol ester
CasNumber: 863868-51-3
MolecularFormula: C13H19BN2O2
MolecularWeight: 246.1132
MdlNumber: MFCD13195764
Smiles: N#Cc1cc(c(n1C)C)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB69189
ChemicalName:
5-Cyano-1,2-dimethylpyrrole-3-boronic acid, pinacol ester
CasNumber:
863868-51-3
MolecularFormula:
C13H19BN2O2
MolecularWeight:
246.1132
MdlNumber:
MFCD13195764
Smiles:
N#Cc1cc(c(n1C)C)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB69190
ChemicalName: 5-Cyano-1-methyl-1H-pyrrol-2-ylboronic acid
CasNumber: 860617-71-6
MolecularFormula: C6H7BN2O2
MolecularWeight: 149.943
MdlNumber: MFCD11976642
Smiles: N#Cc1ccc(n1C)B(O)O
NscNumber: __
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB69190
ChemicalName:
5-Cyano-1-methyl-1H-pyrrol-2-ylboronic acid
CasNumber:
860617-71-6
MolecularFormula:
C6H7BN2O2
MolecularWeight:
149.943
MdlNumber:
MFCD11976642
Smiles:
N#Cc1ccc(n1C)B(O)O
NscNumber:
__
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__