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262433-01-2 | Carbamic acid, (4-bromo-2-methoxyphenyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 262433-01-2 Catalog No: AG002SF7 MDL No:MFCD03426369
Product Description
Catalog Number:
AG002SF7
Chemical Name:
Carbamic acid, (4-bromo-2-methoxyphenyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
262433-01-2
Molecular Formula:
C12H16BrNO3
Molecular Weight:
302.1643
MDL Number:
MFCD03426369
IUPAC Name:
tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate
InChI:
InChI=1S/C12H16BrNO3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,1-4H3,(H,14,15)
InChI Key:
LFWHJZGNFWTUIO-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1NC(=O)OC(C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.168g/mol
Monoisotopic Mass:
301.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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