AI32716
13669-19-7 | (5-Chloro-2-thienyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI32716
ChemicalName
(5-Chloro-2-thienyl)acetic acid
CasNumber
13669-19-7
MolecularFormula
C6H5ClO2S
MolecularWeight
176.6207
MdlNumber
MFCD01859875
Smiles
OC(=O)Cc1ccc(s1)Cl
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AI32716
ChemicalName: (5-Chloro-2-thienyl)acetic acid
CasNumber: 13669-19-7
MolecularFormula: C6H5ClO2S
MolecularWeight: 176.6207
MdlNumber: MFCD01859875
Smiles: OC(=O)Cc1ccc(s1)Cl
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI32716
ChemicalName:
(5-Chloro-2-thienyl)acetic acid
CasNumber:
13669-19-7
MolecularFormula:
C6H5ClO2S
MolecularWeight:
176.6207
MdlNumber:
MFCD01859875
Smiles:
OC(=O)Cc1ccc(s1)Cl
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)cc(cn2)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)cc(cn2)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1nc2c(o1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CSc1nc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AI32719
ChemicalName: 4-Methyl-n'-[(1e)-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]benzene-1-sulfonohydrazide
CasNumber: 1367368-40-8
MolecularFormula: C20H25BN2O4S
MolecularWeight: 400.2995
MdlNumber: MFCD28127160
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 642
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AI32719
ChemicalName:
4-Methyl-n'-[(1e)-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]benzene-1-sulfonohydrazide
CasNumber:
1367368-40-8
MolecularFormula:
C20H25BN2O4S
MolecularWeight:
400.2995
MdlNumber:
MFCD28127160
Smiles:
Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
642
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
__