C1=CC(=CC=C1N=C=O)Br
CAS: 2493-02-9
Название: 1-bromo-4-isocyanatobenzene
SMILES: C1=CC(=CC=C1N=C=O)Br

Molecular Processing

Molecular formula
C7H4BrNO
Molecular weight
198.02
Exact mass
196.9476
XLogP
2.42
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.92

Supplementary Information

InChIKey: CZQIJQFTRGDODI-UHFFFAOYSA-N
Синонимы
4-Bromophenyl isocyanate2493-02-9p-Bromophenyl isocyanate4-Bromophenylisocyanate4-bromophenylcarbimideIsocyanic acid, p-bromophenyl esterMGR77M31ZWP-BROMOPHENYLCARBONIMIDENSC 8037NSC-8037EINECS 219-662-9UNII-MGR77M31ZWDTXSID1062465Isocyanic acid p-bromophenyl esterP-BROMOPHENYL ISOCYANATE [MI]RefChem:98215Isocyanic acid, p-bromophenyl ester (6CI,7CI,8CI)DTXCID3037177CZQIJQFTRGDODI-UHFFFAOYSA-N1-Bromo-4-isocyanatobenzeneBenzene, 1-bromo-4-isocyanato-p-Bromocarbanilp-Bromophenylisocyanatep-Bromophenyl carbonimideMFCD00002022Isocyanic Acid 4-Bromophenyl Ester4-bromophenylisocynate4-bromobenzenisocyanatep-bromophenyl-isocyanate4-bromo-phenylisocyanate
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