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88476-30-6 | 2-Butanol, 1-bromo-2,3-dimethyl-, phenylcarbamate
CAS No: 88476-30-6 Catalog No: AG0049PW MDL No:
Product Description
Catalog Number:
AG0049PW
Chemical Name:
2-Butanol, 1-bromo-2,3-dimethyl-, phenylcarbamate
CAS Number:
88476-30-6
Molecular Formula:
C13H20BrNO3
Molecular Weight:
318.2068
IUPAC Name:
1-bromo-2,3-dimethylbutan-2-ol;phenylcarbamic acid
InChI:
InChI=1S/C7H7NO2.C6H13BrO/c9-7(10)8-6-4-2-1-3-5-6;1-5(2)6(3,8)4-7/h1-5,8H,(H,9,10);5,8H,4H2,1-3H3
InChI Key:
NKRLERZIQPDVMX-UHFFFAOYSA-N
SMILES:
OC(=O)Nc1ccccc1.BrCC(C(C)C)(O)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
318.211g/mol
Monoisotopic Mass:
317.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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