AA65696
147353-95-5 | tert-Butyl (1-(4-chlorophenyl)-2-hydroxyethyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AA65696
ChemicalName
tert-Butyl (1-(4-chlorophenyl)-2-hydroxyethyl)carbamate
CasNumber
147353-95-5
MolecularFormula
C13H18ClNO3
MolecularWeight
271.7399
MdlNumber
MFCD24387088
Smiles
OCC(c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity
270
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AA65696
ChemicalName: tert-Butyl (1-(4-chlorophenyl)-2-hydroxyethyl)carbamate
CasNumber: 147353-95-5
MolecularFormula: C13H18ClNO3
MolecularWeight: 271.7399
MdlNumber: MFCD24387088
Smiles: OCC(c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AA65696
ChemicalName:
tert-Butyl (1-(4-chlorophenyl)-2-hydroxyethyl)carbamate
CasNumber:
147353-95-5
MolecularFormula:
C13H18ClNO3
MolecularWeight:
271.7399
MdlNumber:
MFCD24387088
Smiles:
OCC(c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1ccccc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1ccccc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA65703
ChemicalName: 2-[2-(Methoxycarbonyl)phenyl]acetic acid
CasNumber: 14736-49-3
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD20638285
Smiles: COC(=O)c1ccccc1CC(=O)O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
AA65703
ChemicalName:
2-[2-(Methoxycarbonyl)phenyl]acetic acid
CasNumber:
14736-49-3
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD20638285
Smiles:
COC(=O)c1ccccc1CC(=O)O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8