C1=C(C=C(C(=C1Br)CC#N)Br)CO
CAS: 920509-60-0
الاسم: 2-[2,6-dibromo-4-(hydroxymethyl)phenyl]acetonitrile
SMILES: C1=C(C=C(C(=C1Br)CC#N)Br)CO

Molecular Processing

Molecular formula
C9H7Br2NO
Molecular weight
304.97
Exact mass
302.8894
XLogP
2.77
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
57.08

Supplementary Information

InChIKey: QXMNYSTVLONDOB-UHFFFAOYSA-N
مرادفات
920509-60-02-[2,6-dibromo-4-(hydroxymethyl)phenyl]acetonitrile[2,6-Dibromo-4-(hydroxymethyl)phenyl]acetonitrileSCHEMBL2928717DTXSID00733129QXMNYSTVLONDOB-UHFFFAOYSA-N(2,6-Dibromo-4-hydroxymethyl-phenyl)-acetonitrile
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