AG79821
6186-21-6 | 2-(4-Bromophenyl)-3-oxobutanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AG79821
ChemicalName
2-(4-Bromophenyl)-3-oxobutanenitrile
CasNumber
6186-21-6
MolecularFormula
C10H8BrNO
MolecularWeight
238.08062
MdlNumber
MFCD19216681
Smiles
N#CC(c1ccc(cc1)Br)C(=O)C
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AG79821
ChemicalName: 2-(4-Bromophenyl)-3-oxobutanenitrile
CasNumber: 6186-21-6
MolecularFormula: C10H8BrNO
MolecularWeight: 238.08062
MdlNumber: MFCD19216681
Smiles: N#CC(c1ccc(cc1)Br)C(=O)C
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AG79821
ChemicalName:
2-(4-Bromophenyl)-3-oxobutanenitrile
CasNumber:
6186-21-6
MolecularFormula:
C10H8BrNO
MolecularWeight:
238.08062
MdlNumber:
MFCD19216681
Smiles:
N#CC(c1ccc(cc1)Br)C(=O)C
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AG79823
ChemicalName: Methyl 4,6-dibromo-5-hydroxypicolinate
CasNumber: 64354-25-2
MolecularFormula: C7H5Br2NO3
MolecularWeight: 310.9275
MdlNumber: MFCD26523342
Smiles: COC(=O)c1cc(Br)c(c(n1)Br)O
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AG79823
ChemicalName:
Methyl 4,6-dibromo-5-hydroxypicolinate
CasNumber:
64354-25-2
MolecularFormula:
C7H5Br2NO3
MolecularWeight:
310.9275
MdlNumber:
MFCD26523342
Smiles:
COC(=O)c1cc(Br)c(c(n1)Br)O
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: AG79825
ChemicalName: 5-(4-Carboxyphenyl)nicotinic acid
CasNumber: 597565-52-1
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD18317340
Smiles: OC(=O)c1ccc(cc1)c1cncc(c1)C(=O)O
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
AG79825
ChemicalName:
5-(4-Carboxyphenyl)nicotinic acid
CasNumber:
597565-52-1
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD18317340
Smiles:
OC(=O)c1ccc(cc1)c1cncc(c1)C(=O)O
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5
CatalogNumber: AG79826
ChemicalName: 4-Chloro-3-(morpholine-4-sulfonyl)benzoic acid
CasNumber: 59210-65-0
MolecularFormula: C11H12ClNO5S
MolecularWeight: 305.7347
MdlNumber: MFCD00635035
Smiles: OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)Cl
Complexity: 429
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
AG79826
ChemicalName:
4-Chloro-3-(morpholine-4-sulfonyl)benzoic acid
CasNumber:
59210-65-0
MolecularFormula:
C11H12ClNO5S
MolecularWeight:
305.7347
MdlNumber:
MFCD00635035
Smiles:
OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)Cl
Complexity:
429
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9