AC87883
99199-54-9 | 6-Bromochromane-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC87883
ChemicalName
6-Bromochromane-2-carboxylic acid
CasNumber
99199-54-9
MolecularFormula
C10H9BrO3
MolecularWeight
257.08066
MdlNumber
MFCD07778356
Smiles
OC(=O)C1CCc2c(O1)ccc(c2)Br
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AC87883
ChemicalName: 6-Bromochromane-2-carboxylic acid
CasNumber: 99199-54-9
MolecularFormula: C10H9BrO3
MolecularWeight: 257.08066
MdlNumber: MFCD07778356
Smiles: OC(=O)C1CCc2c(O1)ccc(c2)Br
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AC87883
ChemicalName:
6-Bromochromane-2-carboxylic acid
CasNumber:
99199-54-9
MolecularFormula:
C10H9BrO3
MolecularWeight:
257.08066
MdlNumber:
MFCD07778356
Smiles:
OC(=O)C1CCc2c(O1)ccc(c2)Br
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
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Smiles: CCCCCc1ccc(cc1)/C=C/C(=O)Nc1ccccc1C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CCCCCc1ccc(cc1)/C=C/C(=O)Nc1ccccc1C(=O)O
Complexity:
__
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__
HeavyAtomCount:
__
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__
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Smiles: Clc1ccc(cc1N)S(=O)(=O)N1CCOCC1
Complexity: __
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Smiles:
Clc1ccc(cc1N)S(=O)(=O)N1CCOCC1
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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__
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Smiles: NCCCSCc1ccc(cc1)Cl
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCSCc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__