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116345-19-8 | Propanoic acid, 3-bromo-2-(hydroxyimino)-, methyl ester
CAS No: 116345-19-8 Catalog No: AG000C9Q MDL No:MFCD20691804
Product Description
Catalog Number:
AG000C9Q
Chemical Name:
Propanoic acid, 3-bromo-2-(hydroxyimino)-, methyl ester
CAS Number:
116345-19-8
Molecular Formula:
C4H6BrNO3
Molecular Weight:
195.9993
MDL Number:
MFCD20691804
IUPAC Name:
methyl 3-bromo-2-hydroxyiminopropanoate
InChI:
InChI=1S/C4H6BrNO3/c1-9-4(7)3(2-5)6-8/h8H,2H2,1H3
InChI Key:
WIXSTSUIRWXKKB-UHFFFAOYSA-N
SMILES:
COC(=O)C(=NO)CBr
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.953g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196g/mol
Monoisotopic Mass:
194.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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