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88715-08-6 | Carbamic acid, (3-bromo-4-ethoxyphenyl)-, 1-methylpropyl ester
CAS No: 88715-08-6 Catalog No: AG0046Z9 MDL No:
Product Description
Catalog Number:
AG0046Z9
Chemical Name:
Carbamic acid, (3-bromo-4-ethoxyphenyl)-, 1-methylpropyl ester
CAS Number:
88715-08-6
Molecular Formula:
C13H18BrNO3
Molecular Weight:
316.1909
IUPAC Name:
butan-2-yl N-(3-bromo-4-ethoxyphenyl)carbamate
InChI:
InChI=1S/C13H18BrNO3/c1-4-9(3)18-13(16)15-10-6-7-12(17-5-2)11(14)8-10/h6-9H,4-5H2,1-3H3,(H,15,16)
InChI Key:
FBLOFIZLWDSVBT-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Br)NC(=O)OC(CC)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.195g/mol
Monoisotopic Mass:
315.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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