AB66892
6127-11-3 | 2-(4-Bromo-2-nitrophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66892
ChemicalName
2-(4-Bromo-2-nitrophenyl)acetic acid
CasNumber
6127-11-3
MolecularFormula
C8H6BrNO4
MolecularWeight
260.04153999999994
MdlNumber
MFCD05663950
Smiles
OC(=O)Cc1ccc(cc1N(=O)=O)Br
NscNumber
115142
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB66892
ChemicalName: 2-(4-Bromo-2-nitrophenyl)acetic acid
CasNumber: 6127-11-3
MolecularFormula: C8H6BrNO4
MolecularWeight: 260.04153999999994
MdlNumber: MFCD05663950
Smiles: OC(=O)Cc1ccc(cc1N(=O)=O)Br
NscNumber: 115142
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB66892
ChemicalName:
2-(4-Bromo-2-nitrophenyl)acetic acid
CasNumber:
6127-11-3
MolecularFormula:
C8H6BrNO4
MolecularWeight:
260.04153999999994
MdlNumber:
MFCD05663950
Smiles:
OC(=O)Cc1ccc(cc1N(=O)=O)Br
NscNumber:
115142
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB66893
ChemicalName: 4-Bromo-2-nitrotoluene
CasNumber: 60956-26-5
MolecularFormula: C7H6BrNO2
MolecularWeight: 216.03204
MdlNumber: MFCD00041243
Smiles: Brc1ccc(c(c1)[N+](=O)[O-])C
NscNumber: __
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AB66893
ChemicalName:
4-Bromo-2-nitrotoluene
CasNumber:
60956-26-5
MolecularFormula:
C7H6BrNO2
MolecularWeight:
216.03204
MdlNumber:
MFCD00041243
Smiles:
Brc1ccc(c(c1)[N+](=O)[O-])C
NscNumber:
__
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: AB66894
ChemicalName: 4-Bromo-2-pyrrolidinobenzoic acid
CasNumber: 1099609-12-7
MolecularFormula: C11H12BrNO2
MolecularWeight: 270.1225
MdlNumber: MFCD11651817
Smiles: OC(=O)c1ccc(cc1N1CCCC1)Br
NscNumber: __
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB66894
ChemicalName:
4-Bromo-2-pyrrolidinobenzoic acid
CasNumber:
1099609-12-7
MolecularFormula:
C11H12BrNO2
MolecularWeight:
270.1225
MdlNumber:
MFCD11651817
Smiles:
OC(=O)c1ccc(cc1N1CCCC1)Br
NscNumber:
__
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC(=C(C=C1Br)C(F)(F)F)N=C=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC(=C(C=C1Br)C(F)(F)F)N=C=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__