AB68915
220514-28-3 | Methyl 5-bromo-2-methyl-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB68915
ChemicalName
Methyl 5-bromo-2-methyl-3-nitrobenzoate
CasNumber
220514-28-3
MolecularFormula
C9H8BrNO4
MolecularWeight
274.0681
MdlNumber
MFCD07781280
Smiles
COC(=O)c1cc(Br)cc(c1C)[N+](=O)[O-]
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AB68915
ChemicalName: Methyl 5-bromo-2-methyl-3-nitrobenzoate
CasNumber: 220514-28-3
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD07781280
Smiles: COC(=O)c1cc(Br)cc(c1C)[N+](=O)[O-]
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB68915
ChemicalName:
Methyl 5-bromo-2-methyl-3-nitrobenzoate
CasNumber:
220514-28-3
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD07781280
Smiles:
COC(=O)c1cc(Br)cc(c1C)[N+](=O)[O-]
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AB68916
ChemicalName: 5-Bromo-2-methyl-4-thiocyanatoaniline
CasNumber: 1081803-34-0
MolecularFormula: C8H7BrN2S
MolecularWeight: 243.1236
MdlNumber: MFCD11855817
Smiles: N#CSc1cc(C)c(cc1Br)N
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AB68916
ChemicalName:
5-Bromo-2-methyl-4-thiocyanatoaniline
CasNumber:
1081803-34-0
MolecularFormula:
C8H7BrN2S
MolecularWeight:
243.1236
MdlNumber:
MFCD11855817
Smiles:
N#CSc1cc(C)c(cc1Br)N
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: AB68917
ChemicalName: 5-Bromo-2-methyl-1h-pyrrolo[2,3-b]pyridine
CasNumber: 1111638-02-8
MolecularFormula: C8H7BrN2
MolecularWeight: 211.05858
MdlNumber: MFCD15529124
Smiles: Brc1cnc2c(c1)cc([nH]2)C
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB68917
ChemicalName:
5-Bromo-2-methyl-1h-pyrrolo[2,3-b]pyridine
CasNumber:
1111638-02-8
MolecularFormula:
C8H7BrN2
MolecularWeight:
211.05858
MdlNumber:
MFCD15529124
Smiles:
Brc1cnc2c(c1)cc([nH]2)C
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AB68918
ChemicalName: 5-Bromo-2-methylaniline
CasNumber: 39478-78-9
MolecularFormula: C7H8BrN
MolecularWeight: 186.0491
MdlNumber: MFCD00800678
Smiles: Brc1ccc(c(c1)N)C
Complexity: 94.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AB68918
ChemicalName:
5-Bromo-2-methylaniline
CasNumber:
39478-78-9
MolecularFormula:
C7H8BrN
MolecularWeight:
186.0491
MdlNumber:
MFCD00800678
Smiles:
Brc1ccc(c(c1)N)C
Complexity:
94.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
1.5