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850794-88-6 | Butanoic acid, 4-bromo-2-(methoxyimino)-
CAS No: 850794-88-6 Catalog No: AG004RQM MDL No:
Product Description
Catalog Number:
AG004RQM
Chemical Name:
Butanoic acid, 4-bromo-2-(methoxyimino)-
CAS Number:
850794-88-6
Molecular Formula:
C5H8BrNO3
Molecular Weight:
210.0259
IUPAC Name:
4-bromo-2-methoxyiminobutanoic acid
InChI:
InChI=1S/C5H8BrNO3/c1-10-7-4(2-3-6)5(8)9/h2-3H2,1H3,(H,8,9)
InChI Key:
WZOJQLMKSBIBPN-UHFFFAOYSA-N
SMILES:
CON=C(C(=O)O)CCBr
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.969g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.027g/mol
Monoisotopic Mass:
208.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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