AA43581
1280786-97-1 | 3-Butoxy-4-chlorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA43581
ChemicalName
3-Butoxy-4-chlorobenzoic acid
CasNumber
1280786-97-1
MolecularFormula
C11H13ClO3
MolecularWeight
228.6721
MdlNumber
MFCD18434437
Smiles
CCCCOc1cc(ccc1Cl)C(=O)O
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.5
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CatalogNumber: AA43581
ChemicalName: 3-Butoxy-4-chlorobenzoic acid
CasNumber: 1280786-97-1
MolecularFormula: C11H13ClO3
MolecularWeight: 228.6721
MdlNumber: MFCD18434437
Smiles: CCCCOc1cc(ccc1Cl)C(=O)O
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AA43581
ChemicalName:
3-Butoxy-4-chlorobenzoic acid
CasNumber:
1280786-97-1
MolecularFormula:
C11H13ClO3
MolecularWeight:
228.6721
MdlNumber:
MFCD18434437
Smiles:
CCCCOc1cc(ccc1Cl)C(=O)O
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.5
CatalogNumber: AA43582
ChemicalName: 1-Bromo-4-(1-phenyl-1-pyrrolidinomethyl)benzene
CasNumber: 1280786-96-0
MolecularFormula: C17H18BrN
MolecularWeight: 316.2355
MdlNumber: MFCD18783207
Smiles: Brc1ccc(cc1)C(c1ccccc1)N1CCCC1
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.6
CatalogNumber:
AA43582
ChemicalName:
1-Bromo-4-(1-phenyl-1-pyrrolidinomethyl)benzene
CasNumber:
1280786-96-0
MolecularFormula:
C17H18BrN
MolecularWeight:
316.2355
MdlNumber:
MFCD18783207
Smiles:
Brc1ccc(cc1)C(c1ccccc1)N1CCCC1
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.6
CatalogNumber: AA43583
ChemicalName: 2-(N-BOC-N-Propylamino)-5-bromopyridine
CasNumber: 1280786-95-9
MolecularFormula: C13H19BrN2O2
MolecularWeight: 315.2062
MdlNumber: MFCD12546541
Smiles: CCCN(c1ccc(cn1)Br)C(=O)OC(C)(C)C
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AA43583
ChemicalName:
2-(N-BOC-N-Propylamino)-5-bromopyridine
CasNumber:
1280786-95-9
MolecularFormula:
C13H19BrN2O2
MolecularWeight:
315.2062
MdlNumber:
MFCD12546541
Smiles:
CCCN(c1ccc(cn1)Br)C(=O)OC(C)(C)C
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
3.5
CatalogNumber: AA43584
ChemicalName: 2-Bromo-1-chloro-4-(cyclopropylcarbonyl)benzene
CasNumber: 1280786-94-8
MolecularFormula: C10H8BrClO
MolecularWeight: 259.5269
MdlNumber: MFCD18434450
Smiles: O=C(c1ccc(c(c1)Br)Cl)C1CC1
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA43584
ChemicalName:
2-Bromo-1-chloro-4-(cyclopropylcarbonyl)benzene
CasNumber:
1280786-94-8
MolecularFormula:
C10H8BrClO
MolecularWeight:
259.5269
MdlNumber:
MFCD18434450
Smiles:
O=C(c1ccc(c(c1)Br)Cl)C1CC1
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.4