C1=C(N=C(S1)Br)C(=O)O
CAS: 5198-88-9
이름: 2-bromo-1,3-thiazole-4-carboxylic acid
SMILES: C1=C(N=C(S1)Br)C(=O)O

Molecular Processing

Molecular formula
C4H2BrNO2S
Molecular weight
208.04
Exact mass
206.899
XLogP
1.6
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
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
36.77

Supplementary Information

InChIKey: BEGREHRAUWCAHV-UHFFFAOYSA-N
동의어
2-bromo-1,3-thiazole-4-carboxylic AcidRefChem:465812672-918-55198-88-92-Bromo-4-thiazolecarboxylic acid2-BROMOTHIAZOLE-4-CARBOXYLIC ACIDMFCD041157292-Bromo-thiazole-4-carboxylic acid4-THIAZOLECARBOXYLIC ACID, 2-BROMO-2-bromothiazole-4-carboxylicacid2-bromo-4-carboxythiazoleSCHEMBL252582CHEMBL51876382-bromothiazole-4carboxylic acidDTXSID20376810BEGREHRAUWCAHV-UHFFFAOYSA-NALBB-026644BBL010836SBB053103AKOS005255282AB20482AC-3327CS-W003188FS-14262-brorno-1,3-thiazole-4-carboxylic acidSY004497DB-006007B45782-bromo-4-thiazolecarboxylic acid, AldrichCPREN300-118589
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