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89499-51-4 | Methyl 4-amino-5-bromothiophene-2-carboxylate
CAS No: 89499-51-4 Catalog No: AG0041P2 MDL No:MFCD23135739
Product Description
Catalog Number:
AG0041P2
Chemical Name:
Methyl 4-amino-5-bromothiophene-2-carboxylate
CAS Number:
89499-51-4
Molecular Formula:
C6H6BrNO2S
Molecular Weight:
236.0863
MDL Number:
MFCD23135739
IUPAC Name:
methyl 4-amino-5-bromothiophene-2-carboxylate
InChI:
InChI=1S/C6H6BrNO2S/c1-10-6(9)4-2-3(8)5(7)11-4/h2H,8H2,1H3
InChI Key:
SLMFLUFQWGQAPZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(s1)Br)N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.93g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.083g/mol
Monoisotopic Mass:
234.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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