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115705-75-4 | Carbamic acid, [2-bromo-1-(bromomethyl)ethyl]-, phenylmethyl ester (9CI)
CAS No: 115705-75-4 Catalog No: AG000GRU MDL No:
Product Description
Catalog Number:
AG000GRU
Chemical Name:
Carbamic acid, [2-bromo-1-(bromomethyl)ethyl]-, phenylmethyl ester (9CI)
CAS Number:
115705-75-4
Molecular Formula:
C11H13Br2NO2
Molecular Weight:
351.0344
IUPAC Name:
benzyl N-(1,3-dibromopropan-2-yl)carbamate
InChI:
InChI=1S/C11H13Br2NO2/c12-6-10(7-13)14-11(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChI Key:
NVLGYZUHIJMLDD-UHFFFAOYSA-N
SMILES:
BrCC(NC(=O)OCc1ccccc1)CBr
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.929g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.038g/mol
Monoisotopic Mass:
348.931g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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