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209345-05-1 | Benzoic acid, 3-[(2-bromoacetyl)amino]-, ethyl ester
CAS No: 209345-05-1 Catalog No: AG002K6T MDL No:
Product Description
Catalog Number:
AG002K6T
Chemical Name:
Benzoic acid, 3-[(2-bromoacetyl)amino]-, ethyl ester
CAS Number:
209345-05-1
Molecular Formula:
C11H12BrNO3
Molecular Weight:
286.1219
IUPAC Name:
ethyl 3-[(2-bromoacetyl)amino]benzoate
InChI:
InChI=1S/C11H12BrNO3/c1-2-16-11(15)8-4-3-5-9(6-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
InChI Key:
RHJZEEATPWQQPX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)NC(=O)CBr
NSC Number:
708444
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.125g/mol
Monoisotopic Mass:
285g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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