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166329-43-7 | Carbamic acid, N-[2-(bromomethyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 166329-43-7 Catalog No: AG001WMN MDL No:MFCD11616720
Product Description
Catalog Number:
AG001WMN
Chemical Name:
Carbamic acid, N-[2-(bromomethyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
166329-43-7
Molecular Formula:
C12H16BrNO2
Molecular Weight:
286.1649
MDL Number:
MFCD11616720
IUPAC Name:
tert-butyl N-[2-(bromomethyl)phenyl]carbamate
InChI:
InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h4-7H,8H2,1-3H3,(H,14,15)
InChI Key:
RRLOJNBCMQJDHS-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1NC(=O)OC(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.169g/mol
Monoisotopic Mass:
285.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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