AI48354
341521-29-7 | N-BOC 2-Acetyl-4-bromoaniline
Manufacturer: A2B Chem
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CatalogNumber
AI48354
ChemicalName
N-BOC 2-Acetyl-4-bromoaniline
CasNumber
341521-29-7
MolecularFormula
C13H16BrNO3
MolecularWeight
314.175
MdlNumber
MFCD18909632
Smiles
O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)C)Br
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.4
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CatalogNumber: AI48354
ChemicalName: N-BOC 2-Acetyl-4-bromoaniline
CasNumber: 341521-29-7
MolecularFormula: C13H16BrNO3
MolecularWeight: 314.175
MdlNumber: MFCD18909632
Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)C)Br
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AI48354
ChemicalName:
N-BOC 2-Acetyl-4-bromoaniline
CasNumber:
341521-29-7
MolecularFormula:
C13H16BrNO3
MolecularWeight:
314.175
MdlNumber:
MFCD18909632
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)C)Br
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4
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Smiles: O=C(c1cccc(c1)[N+](=O)[O-])N1CCNCC1
Complexity: __
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Smiles:
O=C(c1cccc(c1)[N+](=O)[O-])N1CCNCC1
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Smiles: [O-]C(=O)P(=O)([O-])[O-].[Na+].[Na+].[Na+].O.O.O.O.O.O
Complexity: __
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Smiles:
[O-]C(=O)P(=O)([O-])[O-].[Na+].[Na+].[Na+].O.O.O.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1C=C2C(=CC=C3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2C[C@](C)(CC3)C(=O)O)C)C)C(=C1O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1C=C2C(=CC=C3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2C[C@](C)(CC3)C(=O)O)C)C)C(=C1O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__