AA44968
129103-69-1 | 2-Bromo-4,5-dimethoxyphenol
Manufacturer: A2B Chem
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CatalogNumber
AA44968
ChemicalName
2-Bromo-4,5-dimethoxyphenol
CasNumber
129103-69-1
MolecularFormula
C8H9BrO3
MolecularWeight
233.0593
MdlNumber
MFCD11110624
Smiles
COc1cc(Br)c(cc1OC)O
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AA44968
ChemicalName: 2-Bromo-4,5-dimethoxyphenol
CasNumber: 129103-69-1
MolecularFormula: C8H9BrO3
MolecularWeight: 233.0593
MdlNumber: MFCD11110624
Smiles: COc1cc(Br)c(cc1OC)O
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AA44968
ChemicalName:
2-Bromo-4,5-dimethoxyphenol
CasNumber:
129103-69-1
MolecularFormula:
C8H9BrO3
MolecularWeight:
233.0593
MdlNumber:
MFCD11110624
Smiles:
COc1cc(Br)c(cc1OC)O
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AA44969
ChemicalName: (2R,3R)-2,3-dihydroxybutanedioic acid 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
CasNumber: 129101-54-8
MolecularFormula: C18H28N2O8
MolecularWeight: 400.4235
MdlNumber: MFCD03700731
Smiles: O[C@H]([C@H](C(=O)O)O)C(=O)O.CCN(C(=O)Oc1cccc(c1)[C@@H](N(C)C)C)C
Complexity: 402
Covalently-bondedUnitCount: 2
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 4
RotatableBondCount: 8
Xlogp3: __
CatalogNumber:
AA44969
ChemicalName:
(2R,3R)-2,3-dihydroxybutanedioic acid 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
CasNumber:
129101-54-8
MolecularFormula:
C18H28N2O8
MolecularWeight:
400.4235
MdlNumber:
MFCD03700731
Smiles:
O[C@H]([C@H](C(=O)O)O)C(=O)O.CCN(C(=O)Oc1cccc(c1)[C@@H](N(C)C)C)C
Complexity:
402
Covalently-bondedUnitCount:
2
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
4
RotatableBondCount:
8
Xlogp3:
__
CatalogNumber: AA44971
ChemicalName: (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CasNumber: 129101-37-7
MolecularFormula: C10H9FO3
MolecularWeight: 196.1751
MdlNumber: MFCD09955074
Smiles: OC(=O)[C@H]1CCc2c(O1)ccc(c2)F
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AA44971
ChemicalName:
(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CasNumber:
129101-37-7
MolecularFormula:
C10H9FO3
MolecularWeight:
196.1751
MdlNumber:
MFCD09955074
Smiles:
OC(=O)[C@H]1CCc2c(O1)ccc(c2)F
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1CCc2c(O1)ccc(c2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1CCc2c(O1)ccc(c2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__