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88476-26-0 | 2-Butanol, 1-bromo-2-methyl-, phenylcarbamate
CAS No: 88476-26-0 Catalog No: AG0049WY MDL No:
Product Description
Catalog Number:
AG0049WY
Chemical Name:
2-Butanol, 1-bromo-2-methyl-, phenylcarbamate
CAS Number:
88476-26-0
Molecular Formula:
C12H18BrNO3
Molecular Weight:
304.1802
IUPAC Name:
1-bromo-2-methylbutan-2-ol;phenylcarbamic acid
InChI:
InChI=1S/C7H7NO2.C5H11BrO/c9-7(10)8-6-4-2-1-3-5-6;1-3-5(2,7)4-6/h1-5,8H,(H,9,10);7H,3-4H2,1-2H3
InChI Key:
PTIDALDMCHAJMQ-UHFFFAOYSA-N
SMILES:
OC(=O)Nc1ccccc1.CCC(CBr)(O)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.184g/mol
Monoisotopic Mass:
303.047g/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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