AF87941
34385-94-9 | 5-Chloro-2,3-dihydro-benzofuran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF87941
ChemicalName
5-Chloro-2,3-dihydro-benzofuran-2-carboxylic acid
CasNumber
34385-94-9
MolecularFormula
C9H7ClO3
MolecularWeight
198.6031
MdlNumber
MFCD06753266
Smiles
OC(=O)C1Cc2c(O1)ccc(c2)Cl
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AF87941
ChemicalName: 5-Chloro-2,3-dihydro-benzofuran-2-carboxylic acid
CasNumber: 34385-94-9
MolecularFormula: C9H7ClO3
MolecularWeight: 198.6031
MdlNumber: MFCD06753266
Smiles: OC(=O)C1Cc2c(O1)ccc(c2)Cl
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AF87941
ChemicalName:
5-Chloro-2,3-dihydro-benzofuran-2-carboxylic acid
CasNumber:
34385-94-9
MolecularFormula:
C9H7ClO3
MolecularWeight:
198.6031
MdlNumber:
MFCD06753266
Smiles:
OC(=O)C1Cc2c(O1)ccc(c2)Cl
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: AF87942
ChemicalName: 3-Chloro-6-fluoro-1-benzothiophene-2-carbohydrazide
CasNumber: 329219-36-5
MolecularFormula: C9H6ClFN2OS
MolecularWeight: 244.6731
MdlNumber: MFCD00449850
Smiles: NNC(=O)c1sc2c(c1Cl)ccc(c2)F
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AF87942
ChemicalName:
3-Chloro-6-fluoro-1-benzothiophene-2-carbohydrazide
CasNumber:
329219-36-5
MolecularFormula:
C9H6ClFN2OS
MolecularWeight:
244.6731
MdlNumber:
MFCD00449850
Smiles:
NNC(=O)c1sc2c(c1Cl)ccc(c2)F
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: AF87943
ChemicalName: 2-Chloro-N-(4-fluoro-2-nitrophenyl)acetamide
CasNumber: 379255-78-4
MolecularFormula: C8H6ClFN2O3
MolecularWeight: 232.5962
MdlNumber: MFCD03147404
Smiles: ClCC(=O)Nc1ccc(cc1[N+](=O)[O-])F
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AF87943
ChemicalName:
2-Chloro-N-(4-fluoro-2-nitrophenyl)acetamide
CasNumber:
379255-78-4
MolecularFormula:
C8H6ClFN2O3
MolecularWeight:
232.5962
MdlNumber:
MFCD03147404
Smiles:
ClCC(=O)Nc1ccc(cc1[N+](=O)[O-])F
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: AF87944
ChemicalName: 2-Chloro-4-(4-methylphenyl)benzoic acid
CasNumber: 334018-57-4
MolecularFormula: C14H11ClO2
MolecularWeight: 246.6889
MdlNumber: MFCD18318965
Smiles: Cc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 4.1
CatalogNumber:
AF87944
ChemicalName:
2-Chloro-4-(4-methylphenyl)benzoic acid
CasNumber:
334018-57-4
MolecularFormula:
C14H11ClO2
MolecularWeight:
246.6889
MdlNumber:
MFCD18318965
Smiles:
Cc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.1