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Home > Bromides > 1138443-96-5
1138443-96-5 | Carbamic acid, N-[(5-bromo-3-methoxy-2-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1138443-96-5 Catalog No: AG0009UP MDL No:MFCD11857664
Product Description
Catalog Number:
AG0009UP
Chemical Name:
Carbamic acid, N-[(5-bromo-3-methoxy-2-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1138443-96-5
Molecular Formula:
C12H17BrN2O3
Molecular Weight:
317.1790
MDL Number:
MFCD11857664
IUPAC Name:
tert-butyl N-[(5-bromo-3-methoxypyridin-2-yl)methyl]carbamate
InChI:
InChI=1S/C12H17BrN2O3/c1-12(2,3)18-11(16)15-7-9-10(17-4)5-8(13)6-14-9/h5-6H,7H2,1-4H3,(H,15,16)
InChI Key:
FTBWBVPCPVJBGF-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cnc1CNC(=O)OC(C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.183g/mol
Monoisotopic Mass:
316.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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