AV18398
13305-09-4 | Methyl 2-hydroxy-2-(4-nitrophenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AV18398
ChemicalName
Methyl 2-hydroxy-2-(4-nitrophenyl)acetate
CasNumber
13305-09-4
MolecularFormula
C9H9NO5
MolecularWeight
211.1715
MdlNumber
MFCD29919631
Smiles
COC(=O)C(c1ccc(cc1)[N+](=O)[O-])O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AV18398
ChemicalName: Methyl 2-hydroxy-2-(4-nitrophenyl)acetate
CasNumber: 13305-09-4
MolecularFormula: C9H9NO5
MolecularWeight: 211.1715
MdlNumber: MFCD29919631
Smiles: COC(=O)C(c1ccc(cc1)[N+](=O)[O-])O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AV18398
ChemicalName:
Methyl 2-hydroxy-2-(4-nitrophenyl)acetate
CasNumber:
13305-09-4
MolecularFormula:
C9H9NO5
MolecularWeight:
211.1715
MdlNumber:
MFCD29919631
Smiles:
COC(=O)C(c1ccc(cc1)[N+](=O)[O-])O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: AV18399
ChemicalName: 3-(Adamantan-1-yl)-6-bromonaphthalen-2-ol
CasNumber: 128272-29-7
MolecularFormula: C20H21BrO
MolecularWeight: 357.2841
MdlNumber: MFCD13182367
Smiles: Oc1cc2ccc(cc2cc1C12CC3CC(C2)CC(C1)C3)Br
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 6.9
CatalogNumber:
AV18399
ChemicalName:
3-(Adamantan-1-yl)-6-bromonaphthalen-2-ol
CasNumber:
128272-29-7
MolecularFormula:
C20H21BrO
MolecularWeight:
357.2841
MdlNumber:
MFCD13182367
Smiles:
Oc1cc2ccc(cc2cc1C12CC3CC(C2)CC(C1)C3)Br
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
6.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#Cc1cccc(c1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 528
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#Cc1cccc(c1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
528
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(Br)cccc1c1ccccc1
Complexity: 248
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(Br)cccc1c1ccccc1
Complexity:
248
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.8