AA76340
15106-62-4 | (S)-2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA76340
ChemicalName
(S)-2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid
CasNumber
15106-62-4
MolecularFormula
C9H9Cl2NO3
MolecularWeight
250.07865999999999
MdlNumber
MFCD09842574
Smiles
OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)O)N
Complexity
227
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-0.5
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CatalogNumber: AA76340
ChemicalName: (S)-2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid
CasNumber: 15106-62-4
MolecularFormula: C9H9Cl2NO3
MolecularWeight: 250.07865999999999
MdlNumber: MFCD09842574
Smiles: OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)O)N
Complexity: 227
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -0.5
CatalogNumber:
AA76340
ChemicalName:
(S)-2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid
CasNumber:
15106-62-4
MolecularFormula:
C9H9Cl2NO3
MolecularWeight:
250.07865999999999
MdlNumber:
MFCD09842574
Smiles:
OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)O)N
Complexity:
227
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-0.5
CatalogNumber: __
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Smiles: Oc1cccc(c1)S(=O)C
Complexity: __
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__
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Smiles:
Oc1cccc(c1)S(=O)C
Complexity:
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__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1c(c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)N1CC2C(C1)(N)CCCC2
Complexity: __
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HydrogenBondDonorCount: __
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1c(c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)N1CC2C(C1)(N)CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CC1(C)OB(OC1(C)C)c1c2ccccc2c(c2c1cccc2)c1cccc(c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1c2ccccc2c(c2c1cccc2)c1cccc(c1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__