AV18222
1823241-41-3 | Ethyl 3-amino-7-bromobenzofuran-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18222
ChemicalName
Ethyl 3-amino-7-bromobenzofuran-2-carboxylate
CasNumber
1823241-41-3
MolecularFormula
C11H10BrNO3
MolecularWeight
284.106
MdlNumber
MFCD21609332
Smiles
CCOC(=O)c1oc2c(c1N)cccc2Br
Complexity
274
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AV18222
ChemicalName: Ethyl 3-amino-7-bromobenzofuran-2-carboxylate
CasNumber: 1823241-41-3
MolecularFormula: C11H10BrNO3
MolecularWeight: 284.106
MdlNumber: MFCD21609332
Smiles: CCOC(=O)c1oc2c(c1N)cccc2Br
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AV18222
ChemicalName:
Ethyl 3-amino-7-bromobenzofuran-2-carboxylate
CasNumber:
1823241-41-3
MolecularFormula:
C11H10BrNO3
MolecularWeight:
284.106
MdlNumber:
MFCD21609332
Smiles:
CCOC(=O)c1oc2c(c1N)cccc2Br
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)O
Complexity: 335
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)O
Complexity:
335
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: AV18224
ChemicalName: 6,7-Dihydro-1-methyl-pyrrolo[2,3-c]azepine-4,8(1h,5h)-dione
CasNumber: 150159-13-0
MolecularFormula: C9H10N2O2
MolecularWeight: 178.1879
MdlNumber: MFCD12964900
Smiles: O=C1CCNC(=O)c2c1ccn2C
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
AV18224
ChemicalName:
6,7-Dihydro-1-methyl-pyrrolo[2,3-c]azepine-4,8(1h,5h)-dione
CasNumber:
150159-13-0
MolecularFormula:
C9H10N2O2
MolecularWeight:
178.1879
MdlNumber:
MFCD12964900
Smiles:
O=C1CCNC(=O)c2c1ccn2C
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AV18225
ChemicalName: (S)-2-Benzamido-3-(4-fluorophenyl)propanoic acid
CasNumber: 143120-37-0
MolecularFormula: C16H14FNO3
MolecularWeight: 287.2857
MdlNumber: MFCD28992013
Smiles: OC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccc(cc1)F
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AV18225
ChemicalName:
(S)-2-Benzamido-3-(4-fluorophenyl)propanoic acid
CasNumber:
143120-37-0
MolecularFormula:
C16H14FNO3
MolecularWeight:
287.2857
MdlNumber:
MFCD28992013
Smiles:
OC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccc(cc1)F
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.9