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N-[(2-bromophenyl)methyl]guanidine

N-[(2-bromophenyl)methyl]guanidine

CAS: 3911-38-4

Formula: C8H10BrN3

SMILES: NC(=N)NCC1=C(Br)C=CC=C1

IUPAC: N-[(2-bromophenyl)methyl]guanidine

InChI: InChI=1S/C8H10BrN3/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)

Composition: C (42.13%), H (4.42%), Br (35.03%), N (18.42%)

Molar Mass: 228.093

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.00581
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey VEWFHMVVHGDNPE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.87
Topological Polar Surface Area 61.9
Polarizability 19.81
Ring Count 1
Rotatable Bond Count 2

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95% <5 Days 3911-38-4 $2,200.00-$3,850.00$2,200.00$2,970.00$3,850.00
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