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885020-88-2 | Carbamic acid, [4-(bromomethyl)-2-chlorophenyl]-, 1,1-dimethylethyl ester
CAS No: 885020-88-2 Catalog No: AG01F4O9 MDL No:
Product Description
Catalog Number:
AG01F4O9
Chemical Name:
Carbamic acid, [4-(bromomethyl)-2-chlorophenyl]-, 1,1-dimethylethyl ester
CAS Number:
885020-88-2
Molecular Formula:
C12H15BrClNO2
Molecular Weight:
320.6100
IUPAC Name:
tert-butyl N-[4-(bromomethyl)-2-chlorophenyl]carbamate
InChI:
InChI=1S/C12H15BrClNO2/c1-12(2,3)17-11(16)15-10-5-4-8(7-13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)
InChI Key:
YUXCRPCHKNKPEN-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.611g/mol
Monoisotopic Mass:
318.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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