C1=CC2=C(C=C1I)C(=NC=N2)Cl
CAS: 98556-31-1
Name: 4-chloro-6-iodoquinazoline
SMILES: C1=CC2=C(C=C1I)C(=NC=N2)Cl

Molecular Processing

Molecular formula
C8H4ClIN2
Molecular weight
290.49
Exact mass
289.9108
XLogP
2.89
TPSA
25.78
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
57.27

Supplementary Information

InChIKey: BDAIUOPDSRAOKI-UHFFFAOYSA-N
Synonyme
4-chloro-6-iodoquinazoline98556-31-1DTXSID50457722RefChem:291861DTXCID40408541801-828-2QUINAZOLINE, 4-CHLORO-6-IODO-MFCD018621936-iodo-4-chloroquinazoline4-chloro-6-iodo-quinazoline6-Iodo-4-chloroquinazoline;4chloro-6-iodoquinazoline6-iodo4-chloroquinazoline4-chloro-6-iodo quinazolineSCHEMBL1405744-chloro-6-iodo-quinazoline-SCHEMBL29390639BDAIUOPDSRAOKI-UHFFFAOYSA-NAKOS015851274AC-8507CS-W019529FC32925PB19952AS-11431SY020620C2775EN300-80629C50065AR-527/43405044F067584
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