AG17630
497959-33-8 | 2-Bromo-4-(trifluoromethyl)benzyl alcohol
Manufacturer: A2B Chem
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CatalogNumber
AG17630
ChemicalName
2-Bromo-4-(trifluoromethyl)benzyl alcohol
CasNumber
497959-33-8
MolecularFormula
C8H6BrF3O
MolecularWeight
255.0318
MdlNumber
MFCD03788534
Smiles
OCc1ccc(cc1Br)C(F)(F)F
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AG17630
ChemicalName: 2-Bromo-4-(trifluoromethyl)benzyl alcohol
CasNumber: 497959-33-8
MolecularFormula: C8H6BrF3O
MolecularWeight: 255.0318
MdlNumber: MFCD03788534
Smiles: OCc1ccc(cc1Br)C(F)(F)F
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AG17630
ChemicalName:
2-Bromo-4-(trifluoromethyl)benzyl alcohol
CasNumber:
497959-33-8
MolecularFormula:
C8H6BrF3O
MolecularWeight:
255.0318
MdlNumber:
MFCD03788534
Smiles:
OCc1ccc(cc1Br)C(F)(F)F
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C(C(C(=O)O)N)S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C(C(C(=O)O)N)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG17632
ChemicalName: Pinocembrin
CasNumber: 480-39-7
MolecularFormula: C15H12O4
MolecularWeight: 256.2534
MdlNumber: MFCD06858345
Smiles: Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AG17632
ChemicalName:
Pinocembrin
CasNumber:
480-39-7
MolecularFormula:
C15H12O4
MolecularWeight:
256.2534
MdlNumber:
MFCD06858345
Smiles:
Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@]1(C)[C@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@]1(C)[C@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__