AF87778
37902-01-5 | 4-Amino-3-chloro-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF87778
ChemicalName
4-Amino-3-chloro-5-nitrobenzoic acid
CasNumber
37902-01-5
MolecularFormula
C7H5ClN2O4
MolecularWeight
216.5786
MdlNumber
MFCD18785081
Smiles
[O-][N+](=O)c1cc(cc(c1N)Cl)C(=O)O
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AF87778
ChemicalName: 4-Amino-3-chloro-5-nitrobenzoic acid
CasNumber: 37902-01-5
MolecularFormula: C7H5ClN2O4
MolecularWeight: 216.5786
MdlNumber: MFCD18785081
Smiles: [O-][N+](=O)c1cc(cc(c1N)Cl)C(=O)O
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AF87778
ChemicalName:
4-Amino-3-chloro-5-nitrobenzoic acid
CasNumber:
37902-01-5
MolecularFormula:
C7H5ClN2O4
MolecularWeight:
216.5786
MdlNumber:
MFCD18785081
Smiles:
[O-][N+](=O)c1cc(cc(c1N)Cl)C(=O)O
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AF87779
ChemicalName: 4-(3-Cyanophenyl)benzonitrile
CasNumber: 42289-54-3
MolecularFormula: C14H8N2
MolecularWeight: 204.2267
MdlNumber: MFCD05981022
Smiles: N#Cc1ccc(cc1)c1cccc(c1)C#N
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AF87779
ChemicalName:
4-(3-Cyanophenyl)benzonitrile
CasNumber:
42289-54-3
MolecularFormula:
C14H8N2
MolecularWeight:
204.2267
MdlNumber:
MFCD05981022
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)C#N
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AF87780
ChemicalName: (3-Fluorophenyl)(4-methoxyphenyl)methanol
CasNumber: 38158-78-0
MolecularFormula: C14H13FO2
MolecularWeight: 232.2502
MdlNumber: MFCD06201328
Smiles: COc1ccc(cc1)C(c1cccc(c1)F)O
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AF87780
ChemicalName:
(3-Fluorophenyl)(4-methoxyphenyl)methanol
CasNumber:
38158-78-0
MolecularFormula:
C14H13FO2
MolecularWeight:
232.2502
MdlNumber:
MFCD06201328
Smiles:
COc1ccc(cc1)C(c1cccc(c1)F)O
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AF87781
ChemicalName: tert-Butyl(thiophen-2-ylmethyl)amine
CasNumber: 344257-87-0
MolecularFormula: C9H15NS
MolecularWeight: 169.2871
MdlNumber: MFCD04556798
Smiles: CC(NCc1cccs1)(C)C
Complexity: 117
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AF87781
ChemicalName:
tert-Butyl(thiophen-2-ylmethyl)amine
CasNumber:
344257-87-0
MolecularFormula:
C9H15NS
MolecularWeight:
169.2871
MdlNumber:
MFCD04556798
Smiles:
CC(NCc1cccs1)(C)C
Complexity:
117
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1