AC26063
865624-17-5 | 1-(Bromomethyl)-3-chloro-5-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AC26063
ChemicalName
1-(Bromomethyl)-3-chloro-5-nitrobenzene
CasNumber
865624-17-5
MolecularFormula
C7H5BrClNO2
MolecularWeight
250.4771
MdlNumber
MFCD11505896
Smiles
BrCc1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity
173
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AC26063
ChemicalName: 1-(Bromomethyl)-3-chloro-5-nitrobenzene
CasNumber: 865624-17-5
MolecularFormula: C7H5BrClNO2
MolecularWeight: 250.4771
MdlNumber: MFCD11505896
Smiles: BrCc1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AC26063
ChemicalName:
1-(Bromomethyl)-3-chloro-5-nitrobenzene
CasNumber:
865624-17-5
MolecularFormula:
C7H5BrClNO2
MolecularWeight:
250.4771
MdlNumber:
MFCD11505896
Smiles:
BrCc1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O
Complexity: 598
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -3.5
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O
Complexity:
598
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCCNC(=N)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CO)CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCCNC(=N)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CO)CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)c(=O)c1c2cc2c(c1)c1c(c2=O)cc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c(=O)c1c2cc2c(c1)c1c(c2=O)cc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__