CAS: 3173-56-6
名称: isocyanatomethylbenzene
SMILES:
C1=CC=C(C=C1)CN=C=OMolecular Processing
Molecular formula
C8H7NO
Molecular weight
133.15
Exact mass
133.0528
XLogP
1.52
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
38.27
Supplementary Information
InChIKey: YDNLNVZZTACNJX-UHFFFAOYSA-N
同義語
Benzyl isocyanate3173-56-6Benzene, (isocyanatomethyl)-8I2LI357GQEINECS 221-640-9NSC-118415DTXSID40863116NSC 118415RefChem:566757DTXCID30811782221-640-9(Isocyanatomethyl)benzeneIsocyanatomethylbenzene1-(isocyanatomethyl)benzeneBenzylisocyanateMFCD00009701phenylmethanisocyanate25550-57-6Isocyanic Acid Benzyl Esterphenylmethyl isocyanateBenzene, isocyanatomethyl-UNII-8I2LI357GQbenzyl isocynatephenylmethylisocyanateNSC118415Isocyanatomethyl-benzeneBenzyl isocyanate, 99%(Isocyanatomethyl)benzene #SCHEMBL5966SCHEMBL3588492
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