AG66505
6286-46-0 | 2-Bromo-4,5-dimethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG66505
ChemicalName
2-Bromo-4,5-dimethoxybenzoic acid
CasNumber
6286-46-0
MolecularFormula
C9H9BrO4
MolecularWeight
261.0694
MdlNumber
MFCD00017542
Smiles
COc1cc(C(=O)O)c(cc1OC)Br
NscNumber
10074
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AG66505
ChemicalName: 2-Bromo-4,5-dimethoxybenzoic acid
CasNumber: 6286-46-0
MolecularFormula: C9H9BrO4
MolecularWeight: 261.0694
MdlNumber: MFCD00017542
Smiles: COc1cc(C(=O)O)c(cc1OC)Br
NscNumber: 10074
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AG66505
ChemicalName:
2-Bromo-4,5-dimethoxybenzoic acid
CasNumber:
6286-46-0
MolecularFormula:
C9H9BrO4
MolecularWeight:
261.0694
MdlNumber:
MFCD00017542
Smiles:
COc1cc(C(=O)O)c(cc1OC)Br
NscNumber:
10074
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SCC(C(=O)O)NC(=O)C(S)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SCC(C(=O)O)NC(=O)C(S)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG66507
ChemicalName: 3-Methyl-4-piperidone
CasNumber: 5773-58-0
MolecularFormula: C6H11NO
MolecularWeight: 113.1576
MdlNumber: MFCD07787596
Smiles: O=C1CCNCC1C
NscNumber: __
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
AG66507
ChemicalName:
3-Methyl-4-piperidone
CasNumber:
5773-58-0
MolecularFormula:
C6H11NO
MolecularWeight:
113.1576
MdlNumber:
MFCD07787596
Smiles:
O=C1CCNCC1C
NscNumber:
__
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AG66508
ChemicalName: 1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
CasNumber: 59937-28-9
MolecularFormula: C12H16O4S2
MolecularWeight: 288.383
MdlNumber: MFCD00867646
Smiles: CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
NscNumber: __
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 3.8
CatalogNumber:
AG66508
ChemicalName:
1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
CasNumber:
59937-28-9
MolecularFormula:
C12H16O4S2
MolecularWeight:
288.383
MdlNumber:
MFCD00867646
Smiles:
CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
NscNumber:
__
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
3.8