AI41959
1864760-35-9 | Methyl 3-(dimethylamino)-2-(4-nitropyrazol-1-yl)prop-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AI41959
ChemicalName
Methyl 3-(dimethylamino)-2-(4-nitropyrazol-1-yl)prop-2-enoate
CasNumber
1864760-35-9
MolecularFormula
C9H12N4O4
MolecularWeight
240.216
MdlNumber
MFCD29035398
Smiles
COC(=O)/C(=C/N(C)C)/n1ncc(c1)[N+](=O)[O-]
Complexity
336
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
0.5
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CatalogNumber: AI41959
ChemicalName: Methyl 3-(dimethylamino)-2-(4-nitropyrazol-1-yl)prop-2-enoate
CasNumber: 1864760-35-9
MolecularFormula: C9H12N4O4
MolecularWeight: 240.216
MdlNumber: MFCD29035398
Smiles: COC(=O)/C(=C/N(C)C)/n1ncc(c1)[N+](=O)[O-]
Complexity: 336
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 0.5
CatalogNumber:
AI41959
ChemicalName:
Methyl 3-(dimethylamino)-2-(4-nitropyrazol-1-yl)prop-2-enoate
CasNumber:
1864760-35-9
MolecularFormula:
C9H12N4O4
MolecularWeight:
240.216
MdlNumber:
MFCD29035398
Smiles:
COC(=O)/C(=C/N(C)C)/n1ncc(c1)[N+](=O)[O-]
Complexity:
336
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc2c1cccc2B1OC(C(O1)(C)C)(C)C
Complexity: 446
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)c1cccc2c1cccc2B1OC(C(O1)(C)C)(C)C
Complexity:
446
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC1CCN(CC1)c1ccc(cn1)B(O)O
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Smiles:
CC1CCN(CC1)c1ccc(cn1)B(O)O
Complexity:
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Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1ccc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__