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1263287-74-6 | Benzoic acid, 2-bromo-5-[1-(hydroxyimino)ethyl]-, methyl ester
CAS No: 1263287-74-6 Catalog No: AG000SN2 MDL No:
Product Description
Catalog Number:
AG000SN2
Chemical Name:
Benzoic acid, 2-bromo-5-[1-(hydroxyimino)ethyl]-, methyl ester
CAS Number:
1263287-74-6
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
IUPAC Name:
methyl 2-bromo-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzoate
InChI:
InChI=1S/C10H10BrNO3/c1-6(12-14)7-3-4-9(11)8(5-7)10(13)15-2/h3-5,14H,1-2H3/b12-6+
InChI Key:
WSJSKOYCNUEGNJ-WUXMJOGZSA-N
SMILES:
COC(=O)c1cc(ccc1Br)C(=NO)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
270.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.098g/mol
Monoisotopic Mass:
270.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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