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499769-92-5

499769-92-5 | 3-BROMOTHIOPHENE-5-BORONIC ACID

CAS No: 499769-92-5 Catalog No: AG00D8UN MDL No:MFCD03094994

Product Description

Catalog Number:
AG00D8UN
Chemical Name:
3-BROMOTHIOPHENE-5-BORONIC ACID
CAS Number:
499769-92-5
Molecular Formula:
C4H4BBrO2S
Molecular Weight:
206.8534
MDL Number:
MFCD03094994
IUPAC Name:
(4-bromothiophen-2-yl)boronic acid
InChI:
InChI=1S/C4H4BBrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2,7-8H
InChI Key:
JNBQQYFWHGVOBY-UHFFFAOYSA-N
SMILES:
OB(c1scc(c1)Br)O

Properties

Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.921g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.848g/mol
Monoisotopic Mass:
205.921g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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