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101649-82-5 | Acetic acid, 2-(benzoylamino)-2-bromo-, methyl ester
CAS No: 101649-82-5 Catalog No: AG00051H MDL No:
Product Description
Catalog Number:
AG00051H
Chemical Name:
Acetic acid, 2-(benzoylamino)-2-bromo-, methyl ester
CAS Number:
101649-82-5
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
IUPAC Name:
methyl 2-benzamido-2-bromoacetate
InChI:
InChI=1S/C10H10BrNO3/c1-15-10(14)8(11)12-9(13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,13)
InChI Key:
HLEOZDUWVNOAAJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(NC(=O)c1ccccc1)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.098g/mol
Monoisotopic Mass:
270.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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