AI61989
926245-29-6 | 4-Bromo-2-(t-butylaminomethyl)-1-fluorobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI61989
ChemicalName
4-Bromo-2-(t-butylaminomethyl)-1-fluorobenzene
CasNumber
926245-29-6
MolecularFormula
C11H15BrFN
MolecularWeight
260.1459
MdlNumber
MFCD09050432
Smiles
CC(NCc1cc(Br)ccc1F)(C)C
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AI61989
ChemicalName: 4-Bromo-2-(t-butylaminomethyl)-1-fluorobenzene
CasNumber: 926245-29-6
MolecularFormula: C11H15BrFN
MolecularWeight: 260.1459
MdlNumber: MFCD09050432
Smiles: CC(NCc1cc(Br)ccc1F)(C)C
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AI61989
ChemicalName:
4-Bromo-2-(t-butylaminomethyl)-1-fluorobenzene
CasNumber:
926245-29-6
MolecularFormula:
C11H15BrFN
MolecularWeight:
260.1459
MdlNumber:
MFCD09050432
Smiles:
CC(NCc1cc(Br)ccc1F)(C)C
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: AI61990
ChemicalName: 2-(4H,5H,6H,7H-Thieno[3,2-c]pyridin-5-yl)acetic acid
CasNumber: 926248-27-3
MolecularFormula: C9H11NO2S
MolecularWeight: 197.25413999999998
MdlNumber: MFCD09042600
Smiles: OC(=O)CN1CCc2c(C1)ccs2
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -1.2
CatalogNumber:
AI61990
ChemicalName:
2-(4H,5H,6H,7H-Thieno[3,2-c]pyridin-5-yl)acetic acid
CasNumber:
926248-27-3
MolecularFormula:
C9H11NO2S
MolecularWeight:
197.25413999999998
MdlNumber:
MFCD09042600
Smiles:
OC(=O)CN1CCc2c(C1)ccs2
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-1.2
CatalogNumber: AI61991
ChemicalName: 3-(4-Bromopyrazol-1-yl)benzoic acid
CasNumber: 926248-67-1
MolecularFormula: C10H7BrN2O2
MolecularWeight: 267.0788
MdlNumber: MFCD09042625
Smiles: Brc1cnn(c1)c1cccc(c1)C(=O)O
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI61991
ChemicalName:
3-(4-Bromopyrazol-1-yl)benzoic acid
CasNumber:
926248-67-1
MolecularFormula:
C10H7BrN2O2
MolecularWeight:
267.0788
MdlNumber:
MFCD09042625
Smiles:
Brc1cnn(c1)c1cccc(c1)C(=O)O
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AI61992
ChemicalName: 2-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
CasNumber: 926249-10-7
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD09046964
Smiles: O=C(C1CC1)Nc1c(C)cccc1C(=O)O
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AI61992
ChemicalName:
2-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
CasNumber:
926249-10-7
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD09046964
Smiles:
O=C(C1CC1)Nc1c(C)cccc1C(=O)O
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2