AF29970
29922-56-3 | 3-Bromo-4-hydroxybenzyl alcohol
Manufacturer: A2B Chem
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CatalogNumber
AF29970
ChemicalName
3-Bromo-4-hydroxybenzyl alcohol
CasNumber
29922-56-3
MolecularFormula
C7H7BrO2
MolecularWeight
203.0333
MdlNumber
MFCD00016869
Smiles
OCc1ccc(c(c1)Br)O
Complexity
108
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AF29970
ChemicalName: 3-Bromo-4-hydroxybenzyl alcohol
CasNumber: 29922-56-3
MolecularFormula: C7H7BrO2
MolecularWeight: 203.0333
MdlNumber: MFCD00016869
Smiles: OCc1ccc(c(c1)Br)O
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AF29970
ChemicalName:
3-Bromo-4-hydroxybenzyl alcohol
CasNumber:
29922-56-3
MolecularFormula:
C7H7BrO2
MolecularWeight:
203.0333
MdlNumber:
MFCD00016869
Smiles:
OCc1ccc(c(c1)Br)O
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF29972
ChemicalName: Alpha-hederin
CasNumber: 27013-91-8
MolecularFormula: C41H66O12
MolecularWeight: 750.9555
MdlNumber: MFCD26960932
Smiles: OC[C@]1(C)[C@H](CC[C@]2(C1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Complexity: 1440
Covalently-bondedUnitCount: 1
HeavyAtomCount: 53
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 7
RotatableBondCount: 6
Xlogp3: 3.6
CatalogNumber:
AF29972
ChemicalName:
Alpha-hederin
CasNumber:
27013-91-8
MolecularFormula:
C41H66O12
MolecularWeight:
750.9555
MdlNumber:
MFCD26960932
Smiles:
OC[C@]1(C)[C@H](CC[C@]2(C1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Complexity:
1440
Covalently-bondedUnitCount:
1
HeavyAtomCount:
53
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
7
RotatableBondCount:
6
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(=O)O.NCCc1c[nH]c2c1cc(O)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(=O)O.NCCc1c[nH]c2c1cc(O)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__