tert-butyl N-(2-bromopropyl)carbamate

tert-butyl N-(2-bromopropyl)carbamate

CAS: 121102-88-3

Formula: C8H16BrNO2

SMILES: CC(Br)CNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-(2-bromopropyl)carbamate

InChI: InChI=1/C8H16BrNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)

Composition: C (40.35%), H (6.77%), Br (33.56%), N (5.88%), O (13.44%)

Molar Mass: 238.125

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	237.036442
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KHFDEFLMWSUKAS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.54
Topological Polar Surface Area	38.33
Polarizability	20.19
Ring Count	0
Rotatable Bond Count	4

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