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53844-02-3 | Benzyl (2-bromoethyl);carbamate
CAS No: 53844-02-3 Catalog No: AG003BM3 MDL No:MFCD09909490
Product Description
Catalog Number:
AG003BM3
Chemical Name:
Benzyl (2-bromoethyl);carbamate
CAS Number:
53844-02-3
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD09909490
IUPAC Name:
benzyl N-(2-bromoethyl)carbamate
InChI:
InChI=1S/C10H12BrNO2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChI Key:
HREXFDIZSAUXBO-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)OCc1ccccc1
NSC Number:
128581
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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