AF36724
28383-57-5 | 5-Bromo-1H-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF36724
ChemicalName
5-Bromo-1H-pyrrole-2-carboxylic acid
CasNumber
28383-57-5
MolecularFormula
C5H4BrNO2
MolecularWeight
189.9948
MdlNumber
MFCD16996076
Smiles
OC(=O)c1ccc([nH]1)Br
Complexity
128
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AF36724
ChemicalName: 5-Bromo-1H-pyrrole-2-carboxylic acid
CasNumber: 28383-57-5
MolecularFormula: C5H4BrNO2
MolecularWeight: 189.9948
MdlNumber: MFCD16996076
Smiles: OC(=O)c1ccc([nH]1)Br
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AF36724
ChemicalName:
5-Bromo-1H-pyrrole-2-carboxylic acid
CasNumber:
28383-57-5
MolecularFormula:
C5H4BrNO2
MolecularWeight:
189.9948
MdlNumber:
MFCD16996076
Smiles:
OC(=O)c1ccc([nH]1)Br
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AF36725
ChemicalName: 6,7-Dihydro-1,7-naphthyridin-8(5H)-one
CasNumber: 301666-63-7
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD16658787
Smiles: O=C1NCCc2c1nccc2
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AF36725
ChemicalName:
6,7-Dihydro-1,7-naphthyridin-8(5H)-one
CasNumber:
301666-63-7
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD16658787
Smiles:
O=C1NCCc2c1nccc2
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccnc2c1[nH]c(c2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccnc2c1[nH]c(c2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccnc2c1cc(Br)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccnc2c1cc(Br)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__