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2521-91-7 | Glycine, N-(3-bromophenyl)-, ethyl ester
CAS No: 2521-91-7 Catalog No: AG002QXW MDL No:MFCD00461413
Product Description
Catalog Number:
AG002QXW
Chemical Name:
Glycine, N-(3-bromophenyl)-, ethyl ester
CAS Number:
2521-91-7
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD00461413
IUPAC Name:
ethyl 2-(3-bromoanilino)acetate
InChI:
InChI=1S/C10H12BrNO2/c1-2-14-10(13)7-12-9-5-3-4-8(11)6-9/h3-6,12H,2,7H2,1H3
InChI Key:
JASOGFHEWZGRCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNc1cccc(c1)Br
NSC Number:
190339
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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