CAS: 2131-61-5
名称: 1-isothiocyanato-4-nitrobenzene
SMILES:
C1=CC(=CC=C1N=C=S)[N+](=O)[O-]Molecular Processing
Molecular formula
C7H4N2O2S
Molecular weight
180.19
Exact mass
179.9993
XLogP
2.33
TPSA
55.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.78
Supplementary Information
InChIKey: NXHSSIGRWJENBH-UHFFFAOYSA-N
同義語
4-Nitrophenyl isothiocyanateBenzene, 1-isothiocyanato-4-nitro-DTXSID9062198EINECS 218-359-9NSC 84691RefChem:562501DTXCID10364622131-61-51-Isothiocyanato-4-nitrobenzene4-Nitrophenylisothiocyanatep-Nitrophenyl isothiocyanate1-isothiocyanato-4-nitro-benzeneMFCD000073074-nitrobenzenisothiocyanateIsothiocyanic Acid 4-Nitrophenyl Ester4-nitro-phenyl isothiocyanatep-Nitrophenylthiocyanat4nitrophenyl isothiocyanate4-nitro-phenylisothiocyanate(4-nitrophenyl)isothiocyanate4-nitro-phenyl-isothiocyanatePhenylisothiocyanate, 4-nitroSCHEMBL206480SCHEMBL156303191-Isothiocyanato-4-nitro-benzen1-Isothiocyanato-4-nitrobenzene #4-Nitrophenyl isothiocyanate, 98%NSC84691NSC-84691SBB002729
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