AH14651
72517-23-8 | 5-Bromo-2,3-dimethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH14651
ChemicalName
5-Bromo-2,3-dimethoxybenzoic acid
CasNumber
72517-23-8
MolecularFormula
C9H9BrO4
MolecularWeight
261.0694
MdlNumber
MFCD01321078
Smiles
COc1c(OC)cc(cc1C(=O)O)Br
NscNumber
281247
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AH14651
ChemicalName: 5-Bromo-2,3-dimethoxybenzoic acid
CasNumber: 72517-23-8
MolecularFormula: C9H9BrO4
MolecularWeight: 261.0694
MdlNumber: MFCD01321078
Smiles: COc1c(OC)cc(cc1C(=O)O)Br
NscNumber: 281247
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AH14651
ChemicalName:
5-Bromo-2,3-dimethoxybenzoic acid
CasNumber:
72517-23-8
MolecularFormula:
C9H9BrO4
MolecularWeight:
261.0694
MdlNumber:
MFCD01321078
Smiles:
COc1c(OC)cc(cc1C(=O)O)Br
NscNumber:
281247
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
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Smiles: COc1ccc(c(c1)[N+](=O)[O-])CN
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc(c(c1)[N+](=O)[O-])CN
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Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC([C@H](CC[C@H]([C@H]1CCC2=C3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@@H]1CC3)C)C)C
NscNumber: __
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MolecularFormula:
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Smiles:
CC([C@H](CC[C@H]([C@H]1CCC2=C3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@@H]1CC3)C)C)C
NscNumber:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C(=O)C3=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C(=O)C3=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__