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247050-08-4 | Carbamic acid, [(2S)-3-bromo-2-hydroxypropyl]-, phenylmethyl ester (9CI)
CAS No: 247050-08-4 Catalog No: AG002P3Z MDL No:
Product Description
Catalog Number:
AG002P3Z
Chemical Name:
Carbamic acid, [(2S)-3-bromo-2-hydroxypropyl]-, phenylmethyl ester (9CI)
CAS Number:
247050-08-4
Molecular Formula:
C11H14BrNO3
Molecular Weight:
288.1378
IUPAC Name:
benzyl N-[(2S)-3-bromo-2-hydroxypropyl]carbamate
InChI:
InChI=1S/C11H14BrNO3/c12-6-10(14)7-13-11(15)16-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15)/t10-/m1/s1
InChI Key:
VEOPYCLUUWICPS-SNVBAGLBSA-N
SMILES:
BrC[C@H](CNC(=O)OCc1ccccc1)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
287.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.141g/mol
Monoisotopic Mass:
287.016g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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