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144189-77-5 | Benzoxazolium, 3-(carboxymethyl)-2-methyl-, bromide (1:1)
CAS No: 144189-77-5 Catalog No: AG001J2D MDL No:
Product Description
Catalog Number:
AG001J2D
Chemical Name:
Benzoxazolium, 3-(carboxymethyl)-2-methyl-, bromide (1:1)
CAS Number:
144189-77-5
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
IUPAC Name:
2-(2-methyl-1,3-benzoxazol-3-ium-3-yl)acetic acid;bromide
InChI:
InChI=1S/C10H9NO3.BrH/c1-7-11(6-10(12)13)8-4-2-3-5-9(8)14-7;/h2-5H,6H2,1H3;1H
InChI Key:
IMARPUCJBKHMNW-UHFFFAOYSA-N
SMILES:
OC(=O)C[n+]1c(C)oc2c1cccc2.[Br-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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