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88476-23-7 | 2-Propanol, 1-bromo-2-methyl-, phenylcarbamate
CAS No: 88476-23-7 Catalog No: AG004AG0 MDL No:
Product Description
Catalog Number:
AG004AG0
Chemical Name:
2-Propanol, 1-bromo-2-methyl-, phenylcarbamate
CAS Number:
88476-23-7
Molecular Formula:
C11H16BrNO3
Molecular Weight:
290.1536
IUPAC Name:
1-bromo-2-methylpropan-2-ol;phenylcarbamic acid
InChI:
InChI=1S/C7H7NO2.C4H9BrO/c9-7(10)8-6-4-2-1-3-5-6;1-4(2,6)3-5/h1-5,8H,(H,9,10);6H,3H2,1-2H3
InChI Key:
LXEOWJYIZOSGMB-UHFFFAOYSA-N
SMILES:
OC(=O)Nc1ccccc1.BrCC(O)(C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.157g/mol
Monoisotopic Mass:
289.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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