AG79820
597563-13-8 | 1-(3-Bromophenyl)cyclopropane-1-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AG79820
ChemicalName
1-(3-Bromophenyl)cyclopropane-1-carboxamide
CasNumber
597563-13-8
MolecularFormula
C10H10BrNO
MolecularWeight
240.0965
MdlNumber
MFCD11816159
Smiles
Brc1cccc(c1)C1(CC1)C(=O)N
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AG79820
ChemicalName: 1-(3-Bromophenyl)cyclopropane-1-carboxamide
CasNumber: 597563-13-8
MolecularFormula: C10H10BrNO
MolecularWeight: 240.0965
MdlNumber: MFCD11816159
Smiles: Brc1cccc(c1)C1(CC1)C(=O)N
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AG79820
ChemicalName:
1-(3-Bromophenyl)cyclopropane-1-carboxamide
CasNumber:
597563-13-8
MolecularFormula:
C10H10BrNO
MolecularWeight:
240.0965
MdlNumber:
MFCD11816159
Smiles:
Brc1cccc(c1)C1(CC1)C(=O)N
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
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
HydrogenBondDonorCount: __
RotatableBondCount: 2
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
HydrogenBondDonorCount:
__
RotatableBondCount:
2
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
HydrogenBondDonorCount: 1
RotatableBondCount: 2
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
HydrogenBondDonorCount:
1
RotatableBondCount:
2
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
HydrogenBondDonorCount: 2
RotatableBondCount: 3
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
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5