tert-butyl N-{[4-(bromomethyl)phenyl]methyl}carbamate

tert-butyl N-{[4-(bromomethyl)phenyl]methyl}carbamate

CAS: 187283-17-6

Formula: C13H18BrNO2

SMILES: CC(C)(C)OC(=O)NCC1=CC=C(CBr)C=C1

IUPAC: tert-butyl N-{[4-(bromomethyl)phenyl]methyl}carbamate

InChI: InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,16)

Composition: C (52.01%), H (6.04%), Br (26.62%), N (4.67%), O (10.66%)

Molar Mass: 300.196

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.052092
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	UYGBIHFTZHBDEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.25
Topological Polar Surface Area	38.33
Polarizability	27.79
Ring Count	1
Rotatable Bond Count	5

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