AI36240
145208-54-4 | 4-(5-Bromothiophen-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI36240
ChemicalName
4-(5-Bromothiophen-2-yl)benzoic acid
CasNumber
145208-54-4
MolecularFormula
C11H7BrO2S
MolecularWeight
283.1411
MdlNumber
MFCD20922788
Smiles
OC(=O)c1ccc(cc1)c1ccc(s1)Br
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.8
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CatalogNumber: AI36240
ChemicalName: 4-(5-Bromothiophen-2-yl)benzoic acid
CasNumber: 145208-54-4
MolecularFormula: C11H7BrO2S
MolecularWeight: 283.1411
MdlNumber: MFCD20922788
Smiles: OC(=O)c1ccc(cc1)c1ccc(s1)Br
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AI36240
ChemicalName:
4-(5-Bromothiophen-2-yl)benzoic acid
CasNumber:
145208-54-4
MolecularFormula:
C11H7BrO2S
MolecularWeight:
283.1411
MdlNumber:
MFCD20922788
Smiles:
OC(=O)c1ccc(cc1)c1ccc(s1)Br
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.8
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Smiles: CCOP(=O)(c1cccc(c1c1c(OC)cccc1P(=O)(OCC)OCC)OC)OCC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOP(=O)(c1cccc(c1c1c(OC)cccc1P(=O)(OCC)OCC)OC)OCC
Complexity:
__
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RotatableBondCount:
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Smiles: O=C(OC(C)(C)C)NNc1ncc(cn1)Br
Complexity: __
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Smiles:
O=C(OC(C)(C)C)NNc1ncc(cn1)Br
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC(=O)C1(COC1)N(Cc1ccccc1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)C1(COC1)N(Cc1ccccc1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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